32,32-dimethyl-23-(9-phenylcarbazol-3-yl)-23,27-diazaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.022,30.024,29]dotriaconta-1(18),2,4(9),5,10,12,14,16,19(31),20,22(30),24(29),25,27-tetradecaene

C50H35N3 — CID 163471500

IUPAC32,32-dimethyl-23-(9-phenylcarbazol-3-yl)-23,27-diazaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.022,30.024,29]dotriaconta-1(18),2,4(9),5,10,12,14,16,19(31),20,22(30),24(29),25,27-tetradecaene
SMILESCC1(C)c2cc3c4c(c5ccccc5c3cc2-c2ccc3c(c21)c1cnccc1n3-c1ccc2c(c1)c1ccccc1n2-c1ccccc1)CCC=C4
InChIInChI=1S/C50H35N3/c1-50(2)43-28-39-35-17-9-7-15-33(35)32-14-6-8-16-34(32)38(39)27-40(43)37-21-23-47-48(49(37)50)42-29-51-25-24-46(42)53(47)31-20-22-45-41(26-31)36-18-10-11-19-44(36)52(45)30-12-4-3-5-13-30/h3-6,8-14,16-29H,7,15H2,1-2H3
InChIKeyBWXDKKWMAPELGY-UHFFFAOYSA-N
MW677.85 g/mol
LogP12.85
Rot. Bonds2

About 32,32-dimethyl-23-(9-phenylcarbazol-3-yl)-23,27-diazaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.022,30.024,29]dotriaconta-1(18),2,4(9),5,10,12,14,16,19(31),20,22(30),24(29),25,27-tetradecaene

32,32-dimethyl-23-(9-phenylcarbazol-3-yl)-23,27-diazaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.022,30.024,29]dotriaconta-1(18),2,4(9),5,10,12,14,16,19(31),20,22(30),24(29),25,27-tetradecaene (PubChem CID 163471500) has the molecular formula C50H35N3 and a molecular weight of 677.85 g/mol. Its IUPAC name is 32,32-dimethyl-23-(9-phenylcarbazol-3-yl)-23,27-diazaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.022,30.024,29]dotriaconta-1(18),2,4(9),5,10,12,14,16,19(31),20,22(30),24(29),25,27-tetradecaene.

Molecular Properties

Compound Name32,32-dimethyl-23-(9-phenylcarbazol-3-yl)-23,27-diazaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.022,30.024,29]dotriaconta-1(18),2,4(9),5,10,12,14,16,19(31),20,22(30),24(29),25,27-tetradecaene
PubChem CID163471500
Molecular FormulaC50H35N3
Molecular Weight677.85 g/mol
Exact Mass677.28
IUPAC Name32,32-dimethyl-23-(9-phenylcarbazol-3-yl)-23,27-diazaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.022,30.024,29]dotriaconta-1(18),2,4(9),5,10,12,14,16,19(31),20,22(30),24(29),25,27-tetradecaene
SMILESCC1(C)c2cc3c4c(c5ccccc5c3cc2-c2ccc3c(c21)c1cnccc1n3-c1ccc2c(c1)c1ccccc1n2-c1ccccc1)CCC=C4
InChIInChI=1S/C50H35N3/c1-50(2)43-28-39-35-17-9-7-15-33(35)32-14-6-8-16-34(32)38(39)27-40(43)37-21-23-47-48(49(37)50)42-29-51-25-24-46(42)53(47)31-20-22-45-41(26-31)36-18-10-11-19-44(36)52(45)30-12-4-3-5-13-30/h3-6,8-14,16-29H,7,15H2,1-2H3
InChIKeyBWXDKKWMAPELGY-UHFFFAOYSA-N
XLogP12.85
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.85
LogP ≤ 512.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 32,32-dimethyl-23-(9-phenylcarbazol-3-yl)-23,27-diazaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.022,30.024,29]dotriaconta-1(18),2,4(9),5,10,12,14,16,19(31),20,22(30),24(29),25,27-tetradecaene with MolForge

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Related Compounds

3-[9-(5,6-dihydrotriphenylen-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 146258565
3-(5,6-dihydrotriphenylen-2-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 139540581
2,10-di(carbazol-9-yl)-12,12-dimethyl-5-phenylindeno[1,2-c]carbazole
CID 59147145
15,15-dimethyl-24-phenyl-11-(4-phenylphenyl)-11,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
CID 166002311
8-carbazol-9-yl-5-phenylpyrido[4,3-b]indole
CID 149133438
15,15-dimethyl-11-phenyl-7-(9-phenylcarbazol-3-yl)-19-(3-phenylphenyl)-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene;15,15-dimethyl-6-(3-phenylphenyl)-24-(4-phenylphenyl)-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 158967628
9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 146564352
9-[4-(5,6-dihydrotriphenylen-2-yl)phenyl]carbazole
CID 139337053
8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-phenylpyrido[4,3-b]indole
CID 170060405
2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;9-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 158543724
5-(3-carbazol-9-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole
CID 118502372
9-(5,6-dihydrotriphenylen-2-yl)-3-[4-methyl-3-(2-methylphenyl)phenyl]carbazole
CID 166969507

Frequently Asked Questions

What is the IUPAC name of 32,32-dimethyl-23-(9-phenylcarbazol-3-yl)-23,27-diazaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.022,30.024,29]dotriaconta-1(18),2,4(9),5,10,12,14,16,19(31),20,22(30),24(29),25,27-tetradecaene?
The IUPAC name of 32,32-dimethyl-23-(9-phenylcarbazol-3-yl)-23,27-diazaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.022,30.024,29]dotriaconta-1(18),2,4(9),5,10,12,14,16,19(31),20,22(30),24(29),25,27-tetradecaene (CID 163471500) is 32,32-dimethyl-23-(9-phenylcarbazol-3-yl)-23,27-diazaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.022,30.024,29]dotriaconta-1(18),2,4(9),5,10,12,14,16,19(31),20,22(30),24(29),25,27-tetradecaene.
What is the SMILES notation for 32,32-dimethyl-23-(9-phenylcarbazol-3-yl)-23,27-diazaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.022,30.024,29]dotriaconta-1(18),2,4(9),5,10,12,14,16,19(31),20,22(30),24(29),25,27-tetradecaene?
The canonical SMILES for 32,32-dimethyl-23-(9-phenylcarbazol-3-yl)-23,27-diazaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.022,30.024,29]dotriaconta-1(18),2,4(9),5,10,12,14,16,19(31),20,22(30),24(29),25,27-tetradecaene is CC1(C)c2cc3c4c(c5ccccc5c3cc2-c2ccc3c(c21)c1cnccc1n3-c1ccc2c(c1)c1ccccc1n2-c1ccccc1)CCC=C4.
What is the InChIKey of 32,32-dimethyl-23-(9-phenylcarbazol-3-yl)-23,27-diazaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.022,30.024,29]dotriaconta-1(18),2,4(9),5,10,12,14,16,19(31),20,22(30),24(29),25,27-tetradecaene?
The InChIKey is BWXDKKWMAPELGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N3/c1-50(2)43-28-39-35-17-9-7-15-33(35)32-14-6-8-16-34(32)38(39)27-40(43)37-21-23-47-48(49(37)50)42-29-51-25-24-46(42)53(47)31-20-22-45-41(26-31)36-18-10-11-19-44(36)52(45)30-12-4-3-5-13-30/h3-6,8-14,16-29H,7,15H2,1-2H3.
What are the key properties of 32,32-dimethyl-23-(9-phenylcarbazol-3-yl)-23,27-diazaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.022,30.024,29]dotriaconta-1(18),2,4(9),5,10,12,14,16,19(31),20,22(30),24(29),25,27-tetradecaene?
32,32-dimethyl-23-(9-phenylcarbazol-3-yl)-23,27-diazaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.022,30.024,29]dotriaconta-1(18),2,4(9),5,10,12,14,16,19(31),20,22(30),24(29),25,27-tetradecaene has a molecular weight of 677.85 g/mol, XLogP of 12.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 32,32-dimethyl-23-(9-phenylcarbazol-3-yl)-23,27-diazaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.022,30.024,29]dotriaconta-1(18),2,4(9),5,10,12,14,16,19(31),20,22(30),24(29),25,27-tetradecaene is sourced from PubChem (CID 163471500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).