32-(9,9-dimethylfluoren-2-yl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene;28,28-dimethyl-32-phenanthren-9-yl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene;28,28-dimethyl-32-(9-phenylcarbazol-2-yl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene

C146H100N4 — CID 157189831

IUPAC32-(9,9-dimethylfluoren-2-yl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene;28,28-dimethyl-32-phenanthren-9-yl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene;28,28-dimethyl-32-(9-phenylcarbazol-2-yl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene
SMILESCC1(C)c2ccccc2-c2cc3c4cc5c6ccccc6c6ccccc6c5cc4n(-c4cc5ccccc5c5ccccc45)c3cc21.CC1(C)c2ccccc2-c2cc3c4cc5c6ccccc6c6ccccc6c5cc4n(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3cc21.CC1(C)c2ccccc2-c2ccc(-n3c4cc5c(cc4c4cc6c7ccccc7c7ccccc7c6cc43)-c3ccccc3C5(C)C)cc21
InChIInChI=1S/C51H34N2.C48H35N.C47H31N/c1-51(2)45-22-12-10-20-37(45)42-28-44-43-27-40-35-18-8-6-16-33(35)34-17-7-9-19-36(34)41(40)29-49(43)53(50(44)30-46(42)51)32-24-25-39-38-21-11-13-23-47(38)52(48(39)26-32)31-14-4-3-5-15-31;1-47(2)41-19-11-9-17-33(41)35-22-21-28(23-43(35)47)49-45-26-37-32-16-8-6-14-30(32)29-13-5-7-15-31(29)36(37)24-39(45)40-25-38-34-18-10-12-20-42(34)48(3,4)44(38)27-46(40)49;1-47(2)42-22-12-11-20-35(42)39-25-41-40-24-37-33-18-7-5-16-31(33)32-17-6-8-19-34(32)38(37)26-45(40)48(46(41)27-43(39)47)44-23-28-13-3-4-14-29(28)30-15-9-10-21-36(30)44/h3-30H,1-2H3;5-27H,1-4H3;3-27H,1-2H3
InChIKeyAPOMTYIDTKQMTO-UHFFFAOYSA-N
MW1910.43 g/mol
LogP39.36
Rot. Bonds4

About 32-(9,9-dimethylfluoren-2-yl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene;28,28-dimethyl-32-phenanthren-9-yl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene;28,28-dimethyl-32-(9-phenylcarbazol-2-yl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene

32-(9,9-dimethylfluoren-2-yl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene;28,28-dimethyl-32-phenanthren-9-yl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene;28,28-dimethyl-32-(9-phenylcarbazol-2-yl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene (PubChem CID 157189831) has the molecular formula C146H100N4 and a molecular weight of 1910.43 g/mol. Its IUPAC name is 32-(9,9-dimethylfluoren-2-yl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene;28,28-dimethyl-32-phenanthren-9-yl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene;28,28-dimethyl-32-(9-phenylcarbazol-2-yl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene.

Molecular Properties

Compound Name32-(9,9-dimethylfluoren-2-yl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene;28,28-dimethyl-32-phenanthren-9-yl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene;28,28-dimethyl-32-(9-phenylcarbazol-2-yl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene
PubChem CID157189831
Molecular FormulaC146H100N4
Molecular Weight1910.43 g/mol
Exact Mass1908.79
IUPAC Name32-(9,9-dimethylfluoren-2-yl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene;28,28-dimethyl-32-phenanthren-9-yl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene;28,28-dimethyl-32-(9-phenylcarbazol-2-yl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene
SMILESCC1(C)c2ccccc2-c2cc3c4cc5c6ccccc6c6ccccc6c5cc4n(-c4cc5ccccc5c5ccccc45)c3cc21.CC1(C)c2ccccc2-c2cc3c4cc5c6ccccc6c6ccccc6c5cc4n(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3cc21.CC1(C)c2ccccc2-c2ccc(-n3c4cc5c(cc4c4cc6c7ccccc7c7ccccc7c6cc43)-c3ccccc3C5(C)C)cc21
InChIInChI=1S/C51H34N2.C48H35N.C47H31N/c1-51(2)45-22-12-10-20-37(45)42-28-44-43-27-40-35-18-8-6-16-33(35)34-17-7-9-19-36(34)41(40)29-49(43)53(50(44)30-46(42)51)32-24-25-39-38-21-11-13-23-47(38)52(48(39)26-32)31-14-4-3-5-15-31;1-47(2)41-19-11-9-17-33(41)35-22-21-28(23-43(35)47)49-45-26-37-32-16-8-6-14-30(32)29-13-5-7-15-31(29)36(37)24-39(45)40-25-38-34-18-10-12-20-42(34)48(3,4)44(38)27-46(40)49;1-47(2)42-22-12-11-20-35(42)39-25-41-40-24-37-33-18-7-5-16-31(33)32-17-6-8-19-34(32)38(37)26-45(40)48(46(41)27-43(39)47)44-23-28-13-3-4-14-29(28)30-15-9-10-21-36(30)44/h3-30H,1-2H3;5-27H,1-4H3;3-27H,1-2H3
InChIKeyAPOMTYIDTKQMTO-UHFFFAOYSA-N
XLogP39.36
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001910.43
LogP ≤ 539.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 32-(9,9-dimethylfluoren-2-yl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene;28,28-dimethyl-32-phenanthren-9-yl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene;28,28-dimethyl-32-(9-phenylcarbazol-2-yl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene with MolForge

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Related Compounds

30,30-dimethyl-5-(9-phenylcarbazol-2-yl)-5-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene
CID 118361045
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-phenylcarbazole
CID 158224432
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
15-[4-(11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492388
11,11-dimethyl-5-phenanthren-9-ylindeno[1,2-b]carbazole
CID 118488779
15-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492385
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
5-(3-carbazol-9-yl-4-phenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 126592248
2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 121274445
15-(9,9-dimethylfluoren-2-yl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-(3,5-diphenylphenyl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenanthren-9-yl-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 159912308
12-(9,9-dimethylfluoren-3-yl)-22-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118502094
6-(9,9-dimethylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole;6-phenanthren-9-yl-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 161421085

Frequently Asked Questions

What is the IUPAC name of 32-(9,9-dimethylfluoren-2-yl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene;28,28-dimethyl-32-phenanthren-9-yl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene;28,28-dimethyl-32-(9-phenylcarbazol-2-yl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene?
The IUPAC name of 32-(9,9-dimethylfluoren-2-yl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene;28,28-dimethyl-32-phenanthren-9-yl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene;28,28-dimethyl-32-(9-phenylcarbazol-2-yl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene (CID 157189831) is 32-(9,9-dimethylfluoren-2-yl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene;28,28-dimethyl-32-phenanthren-9-yl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene;28,28-dimethyl-32-(9-phenylcarbazol-2-yl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene.
What is the SMILES notation for 32-(9,9-dimethylfluoren-2-yl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene;28,28-dimethyl-32-phenanthren-9-yl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene;28,28-dimethyl-32-(9-phenylcarbazol-2-yl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene?
The canonical SMILES for 32-(9,9-dimethylfluoren-2-yl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene;28,28-dimethyl-32-phenanthren-9-yl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene;28,28-dimethyl-32-(9-phenylcarbazol-2-yl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene is CC1(C)c2ccccc2-c2cc3c4cc5c6ccccc6c6ccccc6c5cc4n(-c4cc5ccccc5c5ccccc45)c3cc21.CC1(C)c2ccccc2-c2cc3c4cc5c6ccccc6c6ccccc6c5cc4n(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3cc21.CC1(C)c2ccccc2-c2ccc(-n3c4cc5c(cc4c4cc6c7ccccc7c7ccccc7c6cc43)-c3ccccc3C5(C)C)cc21.
What is the InChIKey of 32-(9,9-dimethylfluoren-2-yl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene;28,28-dimethyl-32-phenanthren-9-yl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene;28,28-dimethyl-32-(9-phenylcarbazol-2-yl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene?
The InChIKey is APOMTYIDTKQMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2.C48H35N.C47H31N/c1-51(2)45-22-12-10-20-37(45)42-28-44-43-27-40-35-18-8-6-16-33(35)34-17-7-9-19-36(34)41(40)29-49(43)53(50(44)30-46(42)51)32-24-25-39-38-21-11-13-23-47(38)52(48(39)26-32)31-14-4-3-5-15-31;1-47(2)41-19-11-9-17-33(41)35-22-21-28(23-43(35)47)49-45-26-37-32-16-8-6-14-30(32)29-13-5-7-15-31(29)36(37)24-39(45)40-25-38-34-18-10-12-20-42(34)48(3,4)44(38)27-46(40)49;1-47(2)42-22-12-11-20-35(42)39-25-41-40-24-37-33-18-7-5-16-31(33)32-17-6-8-19-34(32)38(37)26-45(40)48(46(41)27-43(39)47)44-23-28-13-3-4-14-29(28)30-15-9-10-21-36(30)44/h3-30H,1-2H3;5-27H,1-4H3;3-27H,1-2H3.
What are the key properties of 32-(9,9-dimethylfluoren-2-yl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene;28,28-dimethyl-32-phenanthren-9-yl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene;28,28-dimethyl-32-(9-phenylcarbazol-2-yl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene?
32-(9,9-dimethylfluoren-2-yl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene;28,28-dimethyl-32-phenanthren-9-yl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene;28,28-dimethyl-32-(9-phenylcarbazol-2-yl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene has a molecular weight of 1910.43 g/mol, XLogP of 39.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 32-(9,9-dimethylfluoren-2-yl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene;28,28-dimethyl-32-phenanthren-9-yl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene;28,28-dimethyl-32-(9-phenylcarbazol-2-yl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene is sourced from PubChem (CID 157189831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).