9-phenanthren-9-yl-11,11-diphenyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole

C57H37N — CID 87412983

IUPAC9-phenanthren-9-yl-11,11-diphenyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)-c3ccc(-c4cc6ccccc6c6ccccc46)cc3C5(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C57H37N/c1-4-16-38(17-5-1)39-28-31-44(32-29-39)58-55-27-15-14-26-49(55)52-36-54-51(37-56(52)58)48-33-30-41(50-34-40-18-10-11-23-45(40)46-24-12-13-25-47(46)50)35-53(48)57(54,42-19-6-2-7-20-42)43-21-8-3-9-22-43/h1-37H
InChIKeyOYJVNDJNICIBSM-UHFFFAOYSA-N
MW735.93 g/mol
LogP14.79
Rot. Bonds5

About 9-phenanthren-9-yl-11,11-diphenyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole

9-phenanthren-9-yl-11,11-diphenyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole (PubChem CID 87412983) has the molecular formula C57H37N and a molecular weight of 735.93 g/mol. Its IUPAC name is 9-phenanthren-9-yl-11,11-diphenyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole.

Molecular Properties

Compound Name9-phenanthren-9-yl-11,11-diphenyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
PubChem CID87412983
Molecular FormulaC57H37N
Molecular Weight735.93 g/mol
Exact Mass735.29
IUPAC Name9-phenanthren-9-yl-11,11-diphenyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)-c3ccc(-c4cc6ccccc6c6ccccc46)cc3C5(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C57H37N/c1-4-16-38(17-5-1)39-28-31-44(32-29-39)58-55-27-15-14-26-49(55)52-36-54-51(37-56(52)58)48-33-30-41(50-34-40-18-10-11-23-45(40)46-24-12-13-25-47(46)50)35-53(48)57(54,42-19-6-2-7-20-42)43-21-8-3-9-22-43/h1-37H
InChIKeyOYJVNDJNICIBSM-UHFFFAOYSA-N
XLogP14.79
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.93
LogP ≤ 514.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-[4-(4-carbazol-9-ylphenyl)phenyl]-11,11-diphenylindeno[1,2-b]carbazole
CID 168783626
9-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-3,6-bis(4-phenanthren-9-ylphenyl)carbazole
CID 118475186
9-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole
CID 118475183
3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 89118693
7,7-diphenyl-5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 158074658
7,7-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 161280871
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
9-[4-[4-[4-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 134354328
N-(11,11-diphenylbenzo[b]fluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 166036387
3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole
CID 59306967
9-[3-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]carbazole
CID 139500828
N,9-diphenyl-N-[11-phenyl-11-(4-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-3-amine
CID 167036355

Frequently Asked Questions

What is the IUPAC name of 9-phenanthren-9-yl-11,11-diphenyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole?
The IUPAC name of 9-phenanthren-9-yl-11,11-diphenyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole (CID 87412983) is 9-phenanthren-9-yl-11,11-diphenyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole.
What is the SMILES notation for 9-phenanthren-9-yl-11,11-diphenyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole?
The canonical SMILES for 9-phenanthren-9-yl-11,11-diphenyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)-c3ccc(-c4cc6ccccc6c6ccccc46)cc3C5(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 9-phenanthren-9-yl-11,11-diphenyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole?
The InChIKey is OYJVNDJNICIBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N/c1-4-16-38(17-5-1)39-28-31-44(32-29-39)58-55-27-15-14-26-49(55)52-36-54-51(37-56(52)58)48-33-30-41(50-34-40-18-10-11-23-45(40)46-24-12-13-25-47(46)50)35-53(48)57(54,42-19-6-2-7-20-42)43-21-8-3-9-22-43/h1-37H.
What are the key properties of 9-phenanthren-9-yl-11,11-diphenyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole?
9-phenanthren-9-yl-11,11-diphenyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole has a molecular weight of 735.93 g/mol, XLogP of 14.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenanthren-9-yl-11,11-diphenyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole is sourced from PubChem (CID 87412983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).