7-phenyl-5-[9-[4-(4-phenylphenyl)-1,3-diazecin-2-yl]carbazol-3-yl]benzo[c]carbazole

C54H36N4 — CID 118637729

IUPAC7-phenyl-5-[9-[4-(4-phenylphenyl)-1,3-diazecin-2-yl]carbazol-3-yl]benzo[c]carbazole
SMILESc1cccc(-c2ccc(-c3ccccc3)cc2)nc(-n2c3ccccc3c3cc(-c4cc5c(c6ccccc46)c4ccccc4n5-c4ccccc4)ccc32)ncc1
InChIInChI=1S/C54H36N4/c1-2-16-34-55-54(56-48(25-9-1)39-30-28-38(29-31-39)37-17-5-3-6-18-37)58-49-26-14-12-22-43(49)47-35-40(32-33-51(47)58)46-36-52-53(44-23-11-10-21-42(44)46)45-24-13-15-27-50(45)57(52)41-19-7-4-8-20-41/h1-36H/b2-1+,9-1-,16-2+,25-9-,34-16-,48-25-,55-34-,55-54+,56-48-,56-54-
InChIKeyVVXYQPWLQBTCDY-XUPWJHPZSA-N
MW740.91 g/mol
LogP13.95
Rot. Bonds5

About 7-phenyl-5-[9-[4-(4-phenylphenyl)-1,3-diazecin-2-yl]carbazol-3-yl]benzo[c]carbazole

7-phenyl-5-[9-[4-(4-phenylphenyl)-1,3-diazecin-2-yl]carbazol-3-yl]benzo[c]carbazole (PubChem CID 118637729) has the molecular formula C54H36N4 and a molecular weight of 740.91 g/mol. Its IUPAC name is 7-phenyl-5-[9-[4-(4-phenylphenyl)-1,3-diazecin-2-yl]carbazol-3-yl]benzo[c]carbazole.

Molecular Properties

Compound Name7-phenyl-5-[9-[4-(4-phenylphenyl)-1,3-diazecin-2-yl]carbazol-3-yl]benzo[c]carbazole
PubChem CID118637729
Molecular FormulaC54H36N4
Molecular Weight740.91 g/mol
Exact Mass740.29
IUPAC Name7-phenyl-5-[9-[4-(4-phenylphenyl)-1,3-diazecin-2-yl]carbazol-3-yl]benzo[c]carbazole
SMILESc1cccc(-c2ccc(-c3ccccc3)cc2)nc(-n2c3ccccc3c3cc(-c4cc5c(c6ccccc46)c4ccccc4n5-c4ccccc4)ccc32)ncc1
InChIInChI=1S/C54H36N4/c1-2-16-34-55-54(56-48(25-9-1)39-30-28-38(29-31-39)37-17-5-3-6-18-37)58-49-26-14-12-22-43(49)47-35-40(32-33-51(47)58)46-36-52-53(44-23-11-10-21-42(44)46)45-24-13-15-27-50(45)57(52)41-19-7-4-8-20-41/h1-36H/b2-1+,9-1-,16-2+,25-9-,34-16-,48-25-,55-34-,55-54+,56-48-,56-54-
InChIKeyVVXYQPWLQBTCDY-XUPWJHPZSA-N
XLogP13.95
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.91
LogP ≤ 513.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-phenyl-5-[9-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 118637829
2-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)pyrimidin-2-yl]carbazole
CID 118083964
3-(9-phenylcarbazol-2-yl)-9-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 118028979
5,9-diphenyl-7-[4-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole
CID 90269657
7-phenyl-5-[9-[4-(6-phenylnaphthalen-2-yl)quinazolin-2-yl]carbazol-3-yl]benzo[c]carbazole
CID 118637738
5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 134353255
3,9-diphenyl-6-[9-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-3-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)pyrimidin-2-yl]carbazole
CID 158736028
3-(9-phenylcarbazol-3-yl)-9-[4-[5-(3-phenylphenyl)-3-pyridinyl]pyrimidin-2-yl]carbazole
CID 90086381
3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 118967167
5-[9-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole
CID 130326772
3-(9-phenylcarbazol-3-yl)-9-[4-[6-(4-phenylphenyl)-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 176826323
20-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 90310224

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-5-[9-[4-(4-phenylphenyl)-1,3-diazecin-2-yl]carbazol-3-yl]benzo[c]carbazole?
The IUPAC name of 7-phenyl-5-[9-[4-(4-phenylphenyl)-1,3-diazecin-2-yl]carbazol-3-yl]benzo[c]carbazole (CID 118637729) is 7-phenyl-5-[9-[4-(4-phenylphenyl)-1,3-diazecin-2-yl]carbazol-3-yl]benzo[c]carbazole.
What is the SMILES notation for 7-phenyl-5-[9-[4-(4-phenylphenyl)-1,3-diazecin-2-yl]carbazol-3-yl]benzo[c]carbazole?
The canonical SMILES for 7-phenyl-5-[9-[4-(4-phenylphenyl)-1,3-diazecin-2-yl]carbazol-3-yl]benzo[c]carbazole is c1cccc(-c2ccc(-c3ccccc3)cc2)nc(-n2c3ccccc3c3cc(-c4cc5c(c6ccccc46)c4ccccc4n5-c4ccccc4)ccc32)ncc1.
What is the InChIKey of 7-phenyl-5-[9-[4-(4-phenylphenyl)-1,3-diazecin-2-yl]carbazol-3-yl]benzo[c]carbazole?
The InChIKey is VVXYQPWLQBTCDY-XUPWJHPZSA-N. The full InChI is InChI=1S/C54H36N4/c1-2-16-34-55-54(56-48(25-9-1)39-30-28-38(29-31-39)37-17-5-3-6-18-37)58-49-26-14-12-22-43(49)47-35-40(32-33-51(47)58)46-36-52-53(44-23-11-10-21-42(44)46)45-24-13-15-27-50(45)57(52)41-19-7-4-8-20-41/h1-36H/b2-1+,9-1-,16-2+,25-9-,34-16-,48-25-,55-34-,55-54+,56-48-,56-54-.
What are the key properties of 7-phenyl-5-[9-[4-(4-phenylphenyl)-1,3-diazecin-2-yl]carbazol-3-yl]benzo[c]carbazole?
7-phenyl-5-[9-[4-(4-phenylphenyl)-1,3-diazecin-2-yl]carbazol-3-yl]benzo[c]carbazole has a molecular weight of 740.91 g/mol, XLogP of 13.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-5-[9-[4-(4-phenylphenyl)-1,3-diazecin-2-yl]carbazol-3-yl]benzo[c]carbazole is sourced from PubChem (CID 118637729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).