4-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

C51H31N3 — CID 130325696

IUPAC4-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cccc(-c7ncc8c9c(cccc79)-c7ccccc7-8)c6)c5c4)ccc32)cc1
InChIInChI=1S/C51H31N3/c1-2-13-35(14-3-1)53-47-23-9-7-19-40(47)44-29-32(25-27-48(44)53)33-24-26-41-39-18-6-8-22-46(39)54(49(41)30-33)36-15-10-12-34(28-36)51-43-21-11-20-42-37-16-4-5-17-38(37)45(31-52-51)50(42)43/h1-31H
InChIKeyRNLNDQRKCDOEMC-UHFFFAOYSA-N
MW685.83 g/mol
LogP13.41
Rot. Bonds4

About 4-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

4-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (PubChem CID 130325696) has the molecular formula C51H31N3 and a molecular weight of 685.83 g/mol. Its IUPAC name is 4-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.

Molecular Properties

Compound Name4-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
PubChem CID130325696
Molecular FormulaC51H31N3
Molecular Weight685.83 g/mol
Exact Mass685.25
IUPAC Name4-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cccc(-c7ncc8c9c(cccc79)-c7ccccc7-8)c6)c5c4)ccc32)cc1
InChIInChI=1S/C51H31N3/c1-2-13-35(14-3-1)53-47-23-9-7-19-40(47)44-29-32(25-27-48(44)53)33-24-26-41-39-18-6-8-22-46(39)54(49(41)30-33)36-15-10-12-34(28-36)51-43-21-11-20-42-37-16-4-5-17-38(37)45(31-52-51)50(42)43/h1-31H
InChIKeyRNLNDQRKCDOEMC-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 4-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene with MolForge

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Related Compounds

4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 130325890
4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 130325714
4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-3,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
CID 130326171
4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 130325724
6-[9-(4-fluoranthen-3-ylphenyl)carbazol-3-yl]-2-[9-(3-fluoranthen-3-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole
CID 137420632
9-[9-[3-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]carbazol-3-yl]-5-phenyl-3-[3-[4-[3-(5-phenylbenzo[b]carbazol-9-yl)carbazol-9-yl]phenyl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-12-yl]benzo[b]carbazole
CID 130330919
4-[3-[3-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 130325704
4-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 130325707
4-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 130325705
2-(2-phenylphenyl)-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 170072989
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
4-[6-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 130325889

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The IUPAC name of 4-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (CID 130325696) is 4-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.
What is the SMILES notation for 4-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The canonical SMILES for 4-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cccc(-c7ncc8c9c(cccc79)-c7ccccc7-8)c6)c5c4)ccc32)cc1.
What is the InChIKey of 4-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The InChIKey is RNLNDQRKCDOEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3/c1-2-13-35(14-3-1)53-47-23-9-7-19-40(47)44-29-32(25-27-48(44)53)33-24-26-41-39-18-6-8-22-46(39)54(49(41)30-33)36-15-10-12-34(28-36)51-43-21-11-20-42-37-16-4-5-17-38(37)45(31-52-51)50(42)43/h1-31H.
What are the key properties of 4-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
4-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),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 4-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is sourced from PubChem (CID 130325696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).