7-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene

C51H31N3 — CID 130326274

IUPAC7-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc6c7c(cncc7c5)-c5ccccc5-6)ccc43)c2)cc1
InChIInChI=1S/C51H31N3/c1-2-11-32(12-3-1)33-13-10-14-37(25-33)53-47-19-8-6-17-41(47)43-27-34(21-23-49(43)53)35-22-24-50-44(28-35)42-18-7-9-20-48(42)54(50)38-26-36-30-52-31-46-40-16-5-4-15-39(40)45(29-38)51(36)46/h1-31H
InChIKeyZYABLRGGZLRTAR-UHFFFAOYSA-N
MW685.83 g/mol
LogP13.41
Rot. Bonds4

About 7-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene

7-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene (PubChem CID 130326274) has the molecular formula C51H31N3 and a molecular weight of 685.83 g/mol. Its IUPAC name is 7-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene.

Molecular Properties

Compound Name7-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
PubChem CID130326274
Molecular FormulaC51H31N3
Molecular Weight685.83 g/mol
Exact Mass685.25
IUPAC Name7-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc6c7c(cncc7c5)-c5ccccc5-6)ccc43)c2)cc1
InChIInChI=1S/C51H31N3/c1-2-11-32(12-3-1)33-13-10-14-37(25-33)53-47-19-8-6-17-41(47)43-27-34(21-23-49(43)53)35-22-24-50-44(28-35)42-18-7-9-20-48(42)54(50)38-26-36-30-52-31-46-40-16-5-4-15-39(40)45(29-38)51(36)46/h1-31H
InChIKeyZYABLRGGZLRTAR-UHFFFAOYSA-N
XLogP13.41
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.83
LogP ≤ 513.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene with MolForge

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Related Compounds

7-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 130326285
8-[9-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-7-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130326284
3-(9-fluoranthen-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 130295225
9-(3-fluoranthen-2-ylphenyl)-3,6-diphenylcarbazole
CID 130294968
9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 159084333
9-(3-fluoranthen-2-ylphenyl)-2-[9-[9-[9-(3-fluoranthen-2-ylphenyl)carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]-6-(3-phenylcarbazol-9-yl)carbazole
CID 163849353
11-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-12-yl)-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130326452
3-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9-(3-phenylphenyl)carbazole;3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazole;3-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazole
CID 158212129
3-(3-phenylcarbazol-9-yl)-11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaene
CID 130326206
3-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazole
CID 157108405
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
9-(3-phenylphenyl)-3-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole
CID 165386007

Frequently Asked Questions

What is the IUPAC name of 7-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
The IUPAC name of 7-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene (CID 130326274) is 7-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene.
What is the SMILES notation for 7-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
The canonical SMILES for 7-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc6c7c(cncc7c5)-c5ccccc5-6)ccc43)c2)cc1.
What is the InChIKey of 7-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
The InChIKey is ZYABLRGGZLRTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3/c1-2-11-32(12-3-1)33-13-10-14-37(25-33)53-47-19-8-6-17-41(47)43-27-34(21-23-49(43)53)35-22-24-50-44(28-35)42-18-7-9-20-48(42)54(50)38-26-36-30-52-31-46-40-16-5-4-15-39(40)45(29-38)51(36)46/h1-31H.
What are the key properties of 7-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
7-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene has a molecular weight of 685.83 g/mol, XLogP of 13.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene is sourced from PubChem (CID 130326274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).