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

C45H28N2 — CID 122434747

IUPAC13-[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
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(-c6cc7c(cn6)-c6cccc8cccc-7c68)cc5)cc4)ccc32)cc1
InChIInChI=1S/C45H28N2/c1-2-10-35(11-3-1)47-43-15-5-4-12-36(43)40-26-34(24-25-44(40)47)31-18-16-29(17-19-31)30-20-22-32(23-21-30)42-27-39-37-13-6-8-33-9-7-14-38(45(33)37)41(39)28-46-42/h1-28H
InChIKeyNKUOWVXLBVSWAY-UHFFFAOYSA-N
MW596.73 g/mol
LogP11.98
Rot. Bonds4

About 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

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 (PubChem CID 122434747) has the molecular formula C45H28N2 and a molecular weight of 596.73 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name13-[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
PubChem CID122434747
Molecular FormulaC45H28N2
Molecular Weight596.73 g/mol
Exact Mass596.23
IUPAC Name13-[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
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(-c6cc7c(cn6)-c6cccc8cccc-7c68)cc5)cc4)ccc32)cc1
InChIInChI=1S/C45H28N2/c1-2-10-35(11-3-1)47-43-15-5-4-12-36(43)40-26-34(24-25-44(40)47)31-18-16-29(17-19-31)30-20-22-32(23-21-30)42-27-39-37-13-6-8-33-9-7-14-38(45(33)37)41(39)28-46-42/h1-28H
InChIKeyNKUOWVXLBVSWAY-UHFFFAOYSA-N
XLogP11.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.73
LogP ≤ 511.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122466417
3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(2,6-diphenyl-4-pyridinyl)carbazol-4-yl]-9-phenylcarbazole
CID 158283831
3-(9-fluoranthen-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 130295225
5-naphthalen-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134369788
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-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 130325999
9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-9-phenylcarbazole
CID 157253653
5-[2-[6-phenyl-4-(9-phenylcarbazol-3-yl)-3-pyridinyl]phenyl]benzene-1,3-diol
CID 154679914
13-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
CID 130326472
9-[9-(4-fluoranthen-8-ylphenyl)carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130304356
12-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
CID 130326449
11-[4-(3-fluoranthen-8-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130304278

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(-c6cc7c(cn6)-c6cccc8cccc-7c68)cc5)cc4)ccc32)cc1.
What is the InChIKey of 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?
The InChIKey is NKUOWVXLBVSWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2/c1-2-10-35(11-3-1)47-43-15-5-4-12-36(43)40-26-34(24-25-44(40)47)31-18-16-29(17-19-31)30-20-22-32(23-21-30)42-27-39-37-13-6-8-33-9-7-14-38(45(33)37)41(39)28-46-42/h1-28H.
What are the key properties of 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?
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 has a molecular weight of 596.73 g/mol, XLogP of 11.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 122434747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).