15-[3,6-di(carbazol-9-yl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene

C54H36N4 — CID 163590697

IUPAC15-[3,6-di(carbazol-9-yl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc3cccc1c23
InChIInChI=1S/C54H36N4/c1-54(2)43-19-8-3-14-35(43)42-32-52(55-45-21-13-20-44(54)53(42)45)58-50-28-26-33(56-46-22-9-4-15-36(46)37-16-5-10-23-47(37)56)30-40(50)41-31-34(27-29-51(41)58)57-48-24-11-6-17-38(48)39-18-7-12-25-49(39)57/h3-32H,1-2H3
InChIKeyGPHHRFGCCVMYGJ-UHFFFAOYSA-N
MW740.91 g/mol
LogP13.83
Rot. Bonds3

About 15-[3,6-di(carbazol-9-yl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene

15-[3,6-di(carbazol-9-yl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene (PubChem CID 163590697) has the molecular formula C54H36N4 and a molecular weight of 740.91 g/mol. Its IUPAC name is 15-[3,6-di(carbazol-9-yl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene.

Molecular Properties

Compound Name15-[3,6-di(carbazol-9-yl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
PubChem CID163590697
Molecular FormulaC54H36N4
Molecular Weight740.91 g/mol
Exact Mass740.29
IUPAC Name15-[3,6-di(carbazol-9-yl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc3cccc1c23
InChIInChI=1S/C54H36N4/c1-54(2)43-19-8-3-14-35(43)42-32-52(55-45-21-13-20-44(54)53(42)45)58-50-28-26-33(56-46-22-9-4-15-36(46)37-16-5-10-23-47(37)56)30-40(50)41-31-34(27-29-51(41)58)57-48-24-11-6-17-38(48)39-18-7-12-25-49(39)57/h3-32H,1-2H3
InChIKeyGPHHRFGCCVMYGJ-UHFFFAOYSA-N
XLogP13.83
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.91
LogP ≤ 513.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 15-[3,6-di(carbazol-9-yl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene with MolForge

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Related Compounds

8,8-dimethyl-15-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 163871905
3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 130325922
15-[3,6-bis(2,6-diphenyl-4-pyridinyl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 163901716
2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 121274445
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
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenanthridine
CID 121337153
11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole
CID 118488496
11,11-dimethyl-5-[4-(4-phenylphenyl)quinolin-2-yl]indeno[1,2-b]carbazole
CID 90076019
3-carbazol-9-yl-9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 147106335
5-[6-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)naphthalen-2-yl]-12,12-dimethylindeno[1,2-c]carbazole
CID 122548689
11,11-dimethyl-5-(5-phenylquinolin-2-yl)indeno[1,2-b]carbazole
CID 118502171

Frequently Asked Questions

What is the IUPAC name of 15-[3,6-di(carbazol-9-yl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?
The IUPAC name of 15-[3,6-di(carbazol-9-yl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene (CID 163590697) is 15-[3,6-di(carbazol-9-yl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene.
What is the SMILES notation for 15-[3,6-di(carbazol-9-yl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?
The canonical SMILES for 15-[3,6-di(carbazol-9-yl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene is CC1(C)c2ccccc2-c2cc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc3cccc1c23.
What is the InChIKey of 15-[3,6-di(carbazol-9-yl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?
The InChIKey is GPHHRFGCCVMYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4/c1-54(2)43-19-8-3-14-35(43)42-32-52(55-45-21-13-20-44(54)53(42)45)58-50-28-26-33(56-46-22-9-4-15-36(46)37-16-5-10-23-47(37)56)30-40(50)41-31-34(27-29-51(41)58)57-48-24-11-6-17-38(48)39-18-7-12-25-49(39)57/h3-32H,1-2H3.
What are the key properties of 15-[3,6-di(carbazol-9-yl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?
15-[3,6-di(carbazol-9-yl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene has a molecular weight of 740.91 g/mol, XLogP of 13.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[3,6-di(carbazol-9-yl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene is sourced from PubChem (CID 163590697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).