2-[4-[phenanthren-9-yl-(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole

C51H35N — CID 139384481

IUPAC2-[4-[phenanthren-9-yl-(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2ccc(C(c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C51H35N/c1-3-13-35(14-4-1)36-23-27-38(28-24-36)51(48-33-41-15-7-8-18-43(41)44-19-9-10-20-45(44)48)39-29-25-37(26-30-39)40-31-32-47-46-21-11-12-22-49(46)52(50(47)34-40)42-16-5-2-6-17-42/h1-34,51H
InChIKeyISRMUAXIZWTBET-UHFFFAOYSA-N
MW661.85 g/mol
LogP13.60
Rot. Bonds6

About 2-[4-[phenanthren-9-yl-(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole

2-[4-[phenanthren-9-yl-(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole (PubChem CID 139384481) has the molecular formula C51H35N and a molecular weight of 661.85 g/mol. Its IUPAC name is 2-[4-[phenanthren-9-yl-(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[4-[phenanthren-9-yl-(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole
PubChem CID139384481
Molecular FormulaC51H35N
Molecular Weight661.85 g/mol
Exact Mass661.28
IUPAC Name2-[4-[phenanthren-9-yl-(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2ccc(C(c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C51H35N/c1-3-13-35(14-4-1)36-23-27-38(28-24-36)51(48-33-41-15-7-8-18-43(41)44-19-9-10-20-45(44)48)39-29-25-37(26-30-39)40-31-32-47-46-21-11-12-22-49(46)52(50(47)34-40)42-16-5-2-6-17-42/h1-34,51H
InChIKeyISRMUAXIZWTBET-UHFFFAOYSA-N
XLogP13.60
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.85
LogP ≤ 513.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole
CID 139542507
9-[4-(3,5-diphenylphenyl)phenyl]-2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 135166087
2-[3-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 59858750
9-phenyl-2-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129225606
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
6,9-diphenyl-2-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
CID 122492360
9-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 171438085
2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-(3-phenylphenyl)carbazole;2-[9-(3-phenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 165058453
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 155241336

Frequently Asked Questions

What is the IUPAC name of 2-[4-[phenanthren-9-yl-(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole?
The IUPAC name of 2-[4-[phenanthren-9-yl-(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole (CID 139384481) is 2-[4-[phenanthren-9-yl-(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 2-[4-[phenanthren-9-yl-(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 2-[4-[phenanthren-9-yl-(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole is c1ccc(-c2ccc(C(c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)c3cc4ccccc4c4ccccc34)cc2)cc1.
What is the InChIKey of 2-[4-[phenanthren-9-yl-(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole?
The InChIKey is ISRMUAXIZWTBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N/c1-3-13-35(14-4-1)36-23-27-38(28-24-36)51(48-33-41-15-7-8-18-43(41)44-19-9-10-20-45(44)48)39-29-25-37(26-30-39)40-31-32-47-46-21-11-12-22-49(46)52(50(47)34-40)42-16-5-2-6-17-42/h1-34,51H.
What are the key properties of 2-[4-[phenanthren-9-yl-(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole?
2-[4-[phenanthren-9-yl-(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole has a molecular weight of 661.85 g/mol, XLogP of 13.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[phenanthren-9-yl-(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 139384481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).