3-[3,5-di(phenanthren-9-yl)phenyl]-9-phenylcarbazole

C52H33N — CID 87167202

IUPAC3-[3,5-di(phenanthren-9-yl)phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc(-c5cc6ccccc6c6ccccc56)cc(-c5cc6ccccc6c6ccccc56)c4)ccc32)cc1
InChIInChI=1S/C52H33N/c1-2-16-40(17-3-1)53-51-25-13-12-24-47(51)50-31-34(26-27-52(50)53)37-28-38(48-32-35-14-4-6-18-41(35)43-20-8-10-22-45(43)48)30-39(29-37)49-33-36-15-5-7-19-42(36)44-21-9-11-23-46(44)49/h1-33H
InChIKeyLJTYUGSDXTZGLD-UHFFFAOYSA-N
MW671.84 g/mol
LogP14.40
Rot. Bonds4

About 3-[3,5-di(phenanthren-9-yl)phenyl]-9-phenylcarbazole

3-[3,5-di(phenanthren-9-yl)phenyl]-9-phenylcarbazole (PubChem CID 87167202) has the molecular formula C52H33N and a molecular weight of 671.84 g/mol. Its IUPAC name is 3-[3,5-di(phenanthren-9-yl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[3,5-di(phenanthren-9-yl)phenyl]-9-phenylcarbazole
PubChem CID87167202
Molecular FormulaC52H33N
Molecular Weight671.84 g/mol
Exact Mass671.26
IUPAC Name3-[3,5-di(phenanthren-9-yl)phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc(-c5cc6ccccc6c6ccccc56)cc(-c5cc6ccccc6c6ccccc56)c4)ccc32)cc1
InChIInChI=1S/C52H33N/c1-2-16-40(17-3-1)53-51-25-13-12-24-47(51)50-31-34(26-27-52(50)53)37-28-38(48-32-35-14-4-6-18-41(35)43-20-8-10-22-45(43)48)30-39(29-37)49-33-36-15-5-7-19-42(36)44-21-9-11-23-46(44)49/h1-33H
InChIKeyLJTYUGSDXTZGLD-UHFFFAOYSA-N
XLogP14.40
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.84
LogP ≤ 514.40
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

9-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)carbazole;9-[3-(4-carbazol-9-ylphenyl)-5-(4-phenylphenyl)phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 159689143
9-[3,5-di(phenanthren-9-yl)phenyl]-3,6-bis(4-phenylphenyl)carbazole;ethane
CID 144963563
9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-ylphenyl)carbazole
CID 118531170
3-(2-phenanthren-9-ylphenyl)-9-phenylcarbazole
CID 87171359
3-(4-phenanthren-9-ylphenyl)-9-phenylcarbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 159711358
3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]-9-(4-phenylphenyl)carbazole
CID 118972103
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
3-[6-[3-phenanthren-9-yl-5-(2-phenylcarbazol-9-yl)phenyl]-4-phenyl-2-pyridinyl]-9-phenylcarbazole
CID 139500873
ethane;9-(4-phenanthren-9-ylphenyl)-3,6-bis(4-phenylphenyl)carbazole
CID 144989994
3-(4-phenanthren-3-ylphenyl)-9-phenylcarbazole
CID 88569888
3-[3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 139342070
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole
CID 134378390

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-di(phenanthren-9-yl)phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[3,5-di(phenanthren-9-yl)phenyl]-9-phenylcarbazole (CID 87167202) is 3-[3,5-di(phenanthren-9-yl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[3,5-di(phenanthren-9-yl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[3,5-di(phenanthren-9-yl)phenyl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5cc6ccccc6c6ccccc56)cc(-c5cc6ccccc6c6ccccc56)c4)ccc32)cc1.
What is the InChIKey of 3-[3,5-di(phenanthren-9-yl)phenyl]-9-phenylcarbazole?
The InChIKey is LJTYUGSDXTZGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N/c1-2-16-40(17-3-1)53-51-25-13-12-24-47(51)50-31-34(26-27-52(50)53)37-28-38(48-32-35-14-4-6-18-41(35)43-20-8-10-22-45(43)48)30-39(29-37)49-33-36-15-5-7-19-42(36)44-21-9-11-23-46(44)49/h1-33H.
What are the key properties of 3-[3,5-di(phenanthren-9-yl)phenyl]-9-phenylcarbazole?
3-[3,5-di(phenanthren-9-yl)phenyl]-9-phenylcarbazole has a molecular weight of 671.84 g/mol, XLogP of 14.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-di(phenanthren-9-yl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 87167202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).