9-[9-(6H-benzo[c]chromen-1-yl)carbazol-3-yl]-5-[3-(4-phenylphenyl)phenyl]-6H-phenanthridine

C56H38N2O — CID 170245604

IUPAC9-[9-(6H-benzo[c]chromen-1-yl)carbazol-3-yl]-5-[3-(4-phenylphenyl)phenyl]-6H-phenanthridine
SMILESc1ccc(-c2ccc(-c3cccc(N4Cc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6cccc7c6-c6ccccc6CO7)cc5-c5ccccc54)c3)cc2)cc1
InChIInChI=1S/C56H38N2O/c1-2-12-37(13-3-1)38-24-26-39(27-25-38)40-15-10-16-45(32-40)57-35-43-29-28-41(33-49(43)47-18-6-8-20-51(47)57)42-30-31-53-50(34-42)48-19-7-9-21-52(48)58(53)54-22-11-23-55-56(54)46-17-5-4-14-44(46)36-59-55/h1-34H,35-36H2
InChIKeyHXPIJLGGSSZSQB-UHFFFAOYSA-N
MW754.93 g/mol
LogP14.66
Rot. Bonds5

About 9-[9-(6H-benzo[c]chromen-1-yl)carbazol-3-yl]-5-[3-(4-phenylphenyl)phenyl]-6H-phenanthridine

9-[9-(6H-benzo[c]chromen-1-yl)carbazol-3-yl]-5-[3-(4-phenylphenyl)phenyl]-6H-phenanthridine (PubChem CID 170245604) has the molecular formula C56H38N2O and a molecular weight of 754.93 g/mol. Its IUPAC name is 9-[9-(6H-benzo[c]chromen-1-yl)carbazol-3-yl]-5-[3-(4-phenylphenyl)phenyl]-6H-phenanthridine.

Molecular Properties

Compound Name9-[9-(6H-benzo[c]chromen-1-yl)carbazol-3-yl]-5-[3-(4-phenylphenyl)phenyl]-6H-phenanthridine
PubChem CID170245604
Molecular FormulaC56H38N2O
Molecular Weight754.93 g/mol
Exact Mass754.30
IUPAC Name9-[9-(6H-benzo[c]chromen-1-yl)carbazol-3-yl]-5-[3-(4-phenylphenyl)phenyl]-6H-phenanthridine
SMILESc1ccc(-c2ccc(-c3cccc(N4Cc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6cccc7c6-c6ccccc6CO7)cc5-c5ccccc54)c3)cc2)cc1
InChIInChI=1S/C56H38N2O/c1-2-12-37(13-3-1)38-24-26-39(27-25-38)40-15-10-16-45(32-40)57-35-43-29-28-41(33-49(43)47-18-6-8-20-51(47)57)42-30-31-53-50(34-42)48-19-7-9-21-52(48)58(53)54-22-11-23-55-56(54)46-17-5-4-14-44(46)36-59-55/h1-34H,35-36H2
InChIKeyHXPIJLGGSSZSQB-UHFFFAOYSA-N
XLogP14.66
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.93
LogP ≤ 514.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-phenylphenyl)-9-[9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]-6H-phenanthridine
CID 170195562
9-(6H-benzo[c]chromen-1-yl)-3-[9-[2-(4-phenylphenyl)phenyl]-9,10-dihydrophenanthren-3-yl]carbazole
CID 170249371
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-(6,6-dimethylbenzo[c]chromen-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 169281830
3-[9-[2-(9H-fluoren-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 126753267
3-(9-phenylcarbazol-3-yl)-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 161093250
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590633
3-(3-carbazol-9-ylphenyl)-9-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 170060135
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590420
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 160944719
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 160721825
9-(2-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159485345

Frequently Asked Questions

What is the IUPAC name of 9-[9-(6H-benzo[c]chromen-1-yl)carbazol-3-yl]-5-[3-(4-phenylphenyl)phenyl]-6H-phenanthridine?
The IUPAC name of 9-[9-(6H-benzo[c]chromen-1-yl)carbazol-3-yl]-5-[3-(4-phenylphenyl)phenyl]-6H-phenanthridine (CID 170245604) is 9-[9-(6H-benzo[c]chromen-1-yl)carbazol-3-yl]-5-[3-(4-phenylphenyl)phenyl]-6H-phenanthridine.
What is the SMILES notation for 9-[9-(6H-benzo[c]chromen-1-yl)carbazol-3-yl]-5-[3-(4-phenylphenyl)phenyl]-6H-phenanthridine?
The canonical SMILES for 9-[9-(6H-benzo[c]chromen-1-yl)carbazol-3-yl]-5-[3-(4-phenylphenyl)phenyl]-6H-phenanthridine is c1ccc(-c2ccc(-c3cccc(N4Cc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6cccc7c6-c6ccccc6CO7)cc5-c5ccccc54)c3)cc2)cc1.
What is the InChIKey of 9-[9-(6H-benzo[c]chromen-1-yl)carbazol-3-yl]-5-[3-(4-phenylphenyl)phenyl]-6H-phenanthridine?
The InChIKey is HXPIJLGGSSZSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2O/c1-2-12-37(13-3-1)38-24-26-39(27-25-38)40-15-10-16-45(32-40)57-35-43-29-28-41(33-49(43)47-18-6-8-20-51(47)57)42-30-31-53-50(34-42)48-19-7-9-21-52(48)58(53)54-22-11-23-55-56(54)46-17-5-4-14-44(46)36-59-55/h1-34H,35-36H2.
What are the key properties of 9-[9-(6H-benzo[c]chromen-1-yl)carbazol-3-yl]-5-[3-(4-phenylphenyl)phenyl]-6H-phenanthridine?
9-[9-(6H-benzo[c]chromen-1-yl)carbazol-3-yl]-5-[3-(4-phenylphenyl)phenyl]-6H-phenanthridine has a molecular weight of 754.93 g/mol, XLogP of 14.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(6H-benzo[c]chromen-1-yl)carbazol-3-yl]-5-[3-(4-phenylphenyl)phenyl]-6H-phenanthridine is sourced from PubChem (CID 170245604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).