15,30-bis(11,11-dimethylbenzo[b]fluoren-3-yl)-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene

C66H46N2 — CID 145241546

IUPAC15,30-bis(11,11-dimethylbenzo[b]fluoren-3-yl)-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene
SMILESCC1(C)c2ccc(-n3c4c(c5ccccc53)-c3ccccc3-c3c(c5ccccc5n3-c3ccc5c(c3)-c3cc6ccccc6cc3C5(C)C)-c3ccccc3-4)cc2-c2cc3ccccc3cc21
InChIInChI=1S/C66H46N2/c1-65(2)55-31-29-43(37-53(55)51-33-39-17-5-7-19-41(39)35-57(51)65)67-59-27-15-13-25-49(59)61-46-22-10-12-24-48(46)64-62(45-21-9-11-23-47(45)63(61)67)50-26-14-16-28-60(50)68(64)44-30-32-56-54(38-44)52-34-40-18-6-8-20-42(40)36-58(52)66(56,3)4/h5-38H,1-4H3/b61-46-,62-45-,63-47+,64-48+
InChIKeyXNXCAZVUTQDFCO-FRHRCZHSSA-N
MW867.11 g/mol
LogP17.47
Rot. Bonds2

About 15,30-bis(11,11-dimethylbenzo[b]fluoren-3-yl)-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene

15,30-bis(11,11-dimethylbenzo[b]fluoren-3-yl)-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene (PubChem CID 145241546) has the molecular formula C66H46N2 and a molecular weight of 867.11 g/mol. Its IUPAC name is 15,30-bis(11,11-dimethylbenzo[b]fluoren-3-yl)-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene.

Molecular Properties

Compound Name15,30-bis(11,11-dimethylbenzo[b]fluoren-3-yl)-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene
PubChem CID145241546
Molecular FormulaC66H46N2
Molecular Weight867.11 g/mol
Exact Mass866.37
IUPAC Name15,30-bis(11,11-dimethylbenzo[b]fluoren-3-yl)-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene
SMILESCC1(C)c2ccc(-n3c4c(c5ccccc53)-c3ccccc3-c3c(c5ccccc5n3-c3ccc5c(c3)-c3cc6ccccc6cc3C5(C)C)-c3ccccc3-4)cc2-c2cc3ccccc3cc21
InChIInChI=1S/C66H46N2/c1-65(2)55-31-29-43(37-53(55)51-33-39-17-5-7-19-41(39)35-57(51)65)67-59-27-15-13-25-49(59)61-46-22-10-12-24-48(46)64-62(45-21-9-11-23-47(45)63(61)67)50-26-14-16-28-60(50)68(64)44-30-32-56-54(38-44)52-34-40-18-6-8-20-42(40)36-58(52)66(56,3)4/h5-38H,1-4H3/b61-46-,62-45-,63-47+,64-48+
InChIKeyXNXCAZVUTQDFCO-FRHRCZHSSA-N
XLogP17.47
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.11
LogP ≤ 517.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 15,30-bis(11,11-dimethylbenzo[b]fluoren-3-yl)-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene with MolForge

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Related Compounds

15,24-dinaphthalen-2-yl-15,24-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.025,30]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,25,27,29-tetradecaene
CID 145241644
9-(9,9-dimethylfluoren-2-yl)-14-(9,9-dimethylfluoren-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122595589
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
12,12-dimethyl-16-naphthalen-2-yl-16-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 122464085
15,30-dinaphthalen-2-yl-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene;prop-1-ene
CID 145241548
9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylcarbazol-3-yl]-6-naphthalen-2-ylcarbazole
CID 162081661
3-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 176786074
7-carbazol-9-yl-10,10-dimethylindeno[1,2-g]quinoxaline
CID 146356615
9-(4-carbazol-9-ylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(9-phenylcarbazol-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158410726
5-(9,9-dimethylfluoren-2-yl)-10,10-dimethylindeno[1,2-b]indol-3-amine
CID 141433409
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
CID 58676147

Frequently Asked Questions

What is the IUPAC name of 15,30-bis(11,11-dimethylbenzo[b]fluoren-3-yl)-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene?
The IUPAC name of 15,30-bis(11,11-dimethylbenzo[b]fluoren-3-yl)-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene (CID 145241546) is 15,30-bis(11,11-dimethylbenzo[b]fluoren-3-yl)-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene.
What is the SMILES notation for 15,30-bis(11,11-dimethylbenzo[b]fluoren-3-yl)-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene?
The canonical SMILES for 15,30-bis(11,11-dimethylbenzo[b]fluoren-3-yl)-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene is CC1(C)c2ccc(-n3c4c(c5ccccc53)-c3ccccc3-c3c(c5ccccc5n3-c3ccc5c(c3)-c3cc6ccccc6cc3C5(C)C)-c3ccccc3-4)cc2-c2cc3ccccc3cc21.
What is the InChIKey of 15,30-bis(11,11-dimethylbenzo[b]fluoren-3-yl)-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene?
The InChIKey is XNXCAZVUTQDFCO-FRHRCZHSSA-N. The full InChI is InChI=1S/C66H46N2/c1-65(2)55-31-29-43(37-53(55)51-33-39-17-5-7-19-41(39)35-57(51)65)67-59-27-15-13-25-49(59)61-46-22-10-12-24-48(46)64-62(45-21-9-11-23-47(45)63(61)67)50-26-14-16-28-60(50)68(64)44-30-32-56-54(38-44)52-34-40-18-6-8-20-42(40)36-58(52)66(56,3)4/h5-38H,1-4H3/b61-46-,62-45-,63-47+,64-48+.
What are the key properties of 15,30-bis(11,11-dimethylbenzo[b]fluoren-3-yl)-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene?
15,30-bis(11,11-dimethylbenzo[b]fluoren-3-yl)-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene has a molecular weight of 867.11 g/mol, XLogP of 17.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15,30-bis(11,11-dimethylbenzo[b]fluoren-3-yl)-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene is sourced from PubChem (CID 145241546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).