2-[3-[9-(4-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 130325970

IUPAC2-[3-[9-(4-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(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ncc6cccc7c6c5-c5ccccc5-7)ccc43)cc2)cc1
InChIInChI=1S/C51H31N3/c1-2-11-32(12-3-1)33-21-25-37(26-22-33)53-45-19-8-6-15-39(45)43-29-34(23-27-47(43)53)35-24-28-48-44(30-35)40-16-7-9-20-46(40)54(48)51-50-42-17-5-4-14-38(42)41-18-10-13-36(31-52-51)49(41)50/h1-31H
InChIKeyVFKHTCJNKDBEAW-UHFFFAOYSA-N
MW685.83 g/mol
LogP13.41
Rot. Bonds4

About 2-[3-[9-(4-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

2-[3-[9-(4-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 130325970) has the molecular formula C51H31N3 and a molecular weight of 685.83 g/mol. Its IUPAC name is 2-[3-[9-(4-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 Name2-[3-[9-(4-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 CID130325970
Molecular FormulaC51H31N3
Molecular Weight685.83 g/mol
Exact Mass685.25
IUPAC Name2-[3-[9-(4-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(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ncc6cccc7c6c5-c5ccccc5-7)ccc43)cc2)cc1
InChIInChI=1S/C51H31N3/c1-2-11-32(12-3-1)33-21-25-37(26-22-33)53-45-19-8-6-15-39(45)43-29-34(23-27-47(43)53)35-24-28-48-44(30-35)40-16-7-9-20-46(40)54(48)51-50-42-17-5-4-14-38(42)41-18-10-13-36(31-52-51)49(41)50/h1-31H
InChIKeyVFKHTCJNKDBEAW-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 2-[3-[9-(4-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 130325745
3-(9-fluoranthen-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 130295225
3-[9-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-2-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole;3-[9-[6-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)naphthalen-2-yl]carbazol-3-yl]-7-phenylbenzo[c]carbazole;3-[9-[3-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-2-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole
CID 159341097
3-[9-[4-(3-fluoranthen-3-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71291349
13-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122434747
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590322
3-[4-[9-(4-carbazol-9-ylphenyl)carbazol-4-yl]carbazol-9-yl]-9-phenylcarbazole;3,9-diphenyl-6-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]carbazole
CID 159143760
5-(4-phenylphenyl)-5-azaheptacyclo[19.7.1.02,14.04,12.06,11.015,20.025,29]nonacosa-1(28),2(14),3,6,8,10,12,15,17,19,21,23,25(29),26-tetradecaene
CID 155771619
3-(9-phenylcarbazol-3-yl)-9-[5-[2-(2-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[5-[2-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 158454964
3-(3-phenylphenyl)-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole;3-(3-phenylphenyl)-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 157065974
3,9-bis(4-naphthalen-1-ylphenyl)carbazole;3-(4-naphthalen-1-ylphenyl)-9-(3-phenylphenyl)carbazole
CID 157309871
3-[3-(3,5-diphenylphenyl)phenyl]-9-[4-[4-[3-[3-(3,5-diphenylphenyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole
CID 88917356

Frequently Asked Questions

What is the IUPAC name of 2-[3-[9-(4-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 2-[3-[9-(4-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 130325970) is 2-[3-[9-(4-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 2-[3-[9-(4-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 2-[3-[9-(4-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(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ncc6cccc7c6c5-c5ccccc5-7)ccc43)cc2)cc1.
What is the InChIKey of 2-[3-[9-(4-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 VFKHTCJNKDBEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3/c1-2-11-32(12-3-1)33-21-25-37(26-22-33)53-45-19-8-6-15-39(45)43-29-34(23-27-47(43)53)35-24-28-48-44(30-35)40-16-7-9-20-46(40)54(48)51-50-42-17-5-4-14-38(42)41-18-10-13-36(31-52-51)49(41)50/h1-31H.
What are the key properties of 2-[3-[9-(4-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?
2-[3-[9-(4-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 2-[3-[9-(4-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 130325970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).