9-(6H-benzo[c]chromen-1-yl)-3-[9-[2-(4-phenylphenyl)phenyl]-9,10-dihydrophenanthren-3-yl]carbazole

C57H39NO — CID 170249371

IUPAC9-(6H-benzo[c]chromen-1-yl)-3-[9-[2-(4-phenylphenyl)phenyl]-9,10-dihydrophenanthren-3-yl]carbazole
SMILESc1ccc(-c2ccc(-c3ccccc3C3Cc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5-c5ccccc5CO6)cc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C57H39NO/c1-2-13-37(14-3-1)38-25-27-39(28-26-38)44-16-6-7-18-46(44)51-35-42-30-29-40(33-50(42)47-19-8-9-20-48(47)51)41-31-32-54-52(34-41)49-21-10-11-22-53(49)58(54)55-23-12-24-56-57(55)45-17-5-4-15-43(45)36-59-56/h1-34,51H,35-36H2
InChIKeyKVKUPZAWNUDNLT-UHFFFAOYSA-N
MW753.95 g/mol
LogP14.70
Rot. Bonds5

About 9-(6H-benzo[c]chromen-1-yl)-3-[9-[2-(4-phenylphenyl)phenyl]-9,10-dihydrophenanthren-3-yl]carbazole

9-(6H-benzo[c]chromen-1-yl)-3-[9-[2-(4-phenylphenyl)phenyl]-9,10-dihydrophenanthren-3-yl]carbazole (PubChem CID 170249371) has the molecular formula C57H39NO and a molecular weight of 753.95 g/mol. Its IUPAC name is 9-(6H-benzo[c]chromen-1-yl)-3-[9-[2-(4-phenylphenyl)phenyl]-9,10-dihydrophenanthren-3-yl]carbazole.

Molecular Properties

Compound Name9-(6H-benzo[c]chromen-1-yl)-3-[9-[2-(4-phenylphenyl)phenyl]-9,10-dihydrophenanthren-3-yl]carbazole
PubChem CID170249371
Molecular FormulaC57H39NO
Molecular Weight753.95 g/mol
Exact Mass753.30
IUPAC Name9-(6H-benzo[c]chromen-1-yl)-3-[9-[2-(4-phenylphenyl)phenyl]-9,10-dihydrophenanthren-3-yl]carbazole
SMILESc1ccc(-c2ccc(-c3ccccc3C3Cc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5-c5ccccc5CO6)cc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C57H39NO/c1-2-13-37(14-3-1)38-25-27-39(28-26-38)44-16-6-7-18-46(44)51-35-42-30-29-40(33-50(42)47-19-8-9-20-48(47)51)41-31-32-54-52(34-41)49-21-10-11-22-53(49)58(54)55-23-12-24-56-57(55)45-17-5-4-15-43(45)36-59-56/h1-34,51H,35-36H2
InChIKeyKVKUPZAWNUDNLT-UHFFFAOYSA-N
XLogP14.70
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.95
LogP ≤ 514.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[9-(6H-benzo[c]chromen-1-yl)carbazol-3-yl]-5-[3-(4-phenylphenyl)phenyl]-6H-phenanthridine
CID 170245604
6-[9-[3-(2-phenylphenyl)phenyl]carbazol-3-yl]-20-oxa-2-azaheptacyclo[12.10.2.12,9.03,8.018,26.021,25.013,27]heptacosa-1(25),3(8),4,6,9(27),10,12,14,16,18(26),21,23-dodecaene
CID 170252814
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590713
3-(10-dibenzofuran-1-yl-9,10-dihydrophenanthren-3-yl)-9-phenylcarbazole
CID 167289243
9-(2-phenylphenyl)-3-[3-[9-(2-phenylphenyl)-9H-fluoren-3-yl]carbazol-9-yl]carbazole
CID 71232640
3-[3-[4-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-5-[9-(3,5-diphenylphenyl)-9,10-dihydrophenanthren-3-yl]phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 126728057
3-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 126538623
3-(10-methyl-9-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-9-(3-phenylphenyl)carbazole
CID 169131711
9-naphthalen-2-yl-3-[10-(4-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole
CID 170195475
9-naphthalen-2-yl-3-[10-(3-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole
CID 170195500
3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 146664841
3-[9-(6,6-dimethylbenzo[c]chromen-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 169281830

Frequently Asked Questions

What is the IUPAC name of 9-(6H-benzo[c]chromen-1-yl)-3-[9-[2-(4-phenylphenyl)phenyl]-9,10-dihydrophenanthren-3-yl]carbazole?
The IUPAC name of 9-(6H-benzo[c]chromen-1-yl)-3-[9-[2-(4-phenylphenyl)phenyl]-9,10-dihydrophenanthren-3-yl]carbazole (CID 170249371) is 9-(6H-benzo[c]chromen-1-yl)-3-[9-[2-(4-phenylphenyl)phenyl]-9,10-dihydrophenanthren-3-yl]carbazole.
What is the SMILES notation for 9-(6H-benzo[c]chromen-1-yl)-3-[9-[2-(4-phenylphenyl)phenyl]-9,10-dihydrophenanthren-3-yl]carbazole?
The canonical SMILES for 9-(6H-benzo[c]chromen-1-yl)-3-[9-[2-(4-phenylphenyl)phenyl]-9,10-dihydrophenanthren-3-yl]carbazole is c1ccc(-c2ccc(-c3ccccc3C3Cc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5-c5ccccc5CO6)cc4-c4ccccc43)cc2)cc1.
What is the InChIKey of 9-(6H-benzo[c]chromen-1-yl)-3-[9-[2-(4-phenylphenyl)phenyl]-9,10-dihydrophenanthren-3-yl]carbazole?
The InChIKey is KVKUPZAWNUDNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39NO/c1-2-13-37(14-3-1)38-25-27-39(28-26-38)44-16-6-7-18-46(44)51-35-42-30-29-40(33-50(42)47-19-8-9-20-48(47)51)41-31-32-54-52(34-41)49-21-10-11-22-53(49)58(54)55-23-12-24-56-57(55)45-17-5-4-15-43(45)36-59-56/h1-34,51H,35-36H2.
What are the key properties of 9-(6H-benzo[c]chromen-1-yl)-3-[9-[2-(4-phenylphenyl)phenyl]-9,10-dihydrophenanthren-3-yl]carbazole?
9-(6H-benzo[c]chromen-1-yl)-3-[9-[2-(4-phenylphenyl)phenyl]-9,10-dihydrophenanthren-3-yl]carbazole has a molecular weight of 753.95 g/mol, XLogP of 14.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6H-benzo[c]chromen-1-yl)-3-[9-[2-(4-phenylphenyl)phenyl]-9,10-dihydrophenanthren-3-yl]carbazole is sourced from PubChem (CID 170249371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).