9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-ylphenyl)carbazole

C82H53N — CID 118531170

IUPAC9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-ylphenyl)carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-n4c5ccc(-c6ccc(-c7cc8ccccc8c8ccccc78)cc6)cc5c5cc(-c6ccc(-c7cc8ccccc8c8ccccc78)cc6)ccc54)c3)cc2)cc1
InChIInChI=1S/C82H53N/c1-3-15-54(16-4-1)56-27-31-60(32-28-56)68-47-69(61-33-29-57(30-34-61)55-17-5-2-6-18-55)49-70(48-68)83-81-45-43-64(58-35-39-62(40-36-58)77-52-66-19-7-9-21-71(66)73-23-11-13-25-75(73)77)50-79(81)80-51-65(44-46-82(80)83)59-37-41-63(42-38-59)78-53-67-20-8-10-22-72(67)74-24-12-14-26-76(74)78/h1-53H
InChIKeyWLNKQHMFRSXJBF-UHFFFAOYSA-N
MW1052.33 g/mol
LogP22.73
Rot. Bonds9

About 9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-ylphenyl)carbazole

9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-ylphenyl)carbazole (PubChem CID 118531170) has the molecular formula C82H53N and a molecular weight of 1052.33 g/mol. Its IUPAC name is 9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-ylphenyl)carbazole.

Molecular Properties

Compound Name9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-ylphenyl)carbazole
PubChem CID118531170
Molecular FormulaC82H53N
Molecular Weight1052.33 g/mol
Exact Mass1051.42
IUPAC Name9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-ylphenyl)carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-n4c5ccc(-c6ccc(-c7cc8ccccc8c8ccccc78)cc6)cc5c5cc(-c6ccc(-c7cc8ccccc8c8ccccc78)cc6)ccc54)c3)cc2)cc1
InChIInChI=1S/C82H53N/c1-3-15-54(16-4-1)56-27-31-60(32-28-56)68-47-69(61-33-29-57(30-34-61)55-17-5-2-6-18-55)49-70(48-68)83-81-45-43-64(58-35-39-62(40-36-58)77-52-66-19-7-9-21-71(66)73-23-11-13-25-75(73)77)50-79(81)80-51-65(44-46-82(80)83)59-37-41-63(42-38-59)78-53-67-20-8-10-22-72(67)74-24-12-14-26-76(74)78/h1-53H
InChIKeyWLNKQHMFRSXJBF-UHFFFAOYSA-N
XLogP22.73
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001052.33
LogP ≤ 522.73
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-[3,5-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-yl-2-phenylphenyl)carbazole
CID 118531280
3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]-9-(4-phenylphenyl)carbazole
CID 118972103
ethane;9-(4-phenanthren-9-ylphenyl)-3,6-bis(4-phenylphenyl)carbazole
CID 144989994
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
3-[3,5-di(phenanthren-9-yl)phenyl]-9-phenylcarbazole
CID 87167202
3-[9-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole
CID 88559224
3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)-9-(4-phenylphenyl)carbazole
CID 118971958
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-[3-phenanthren-9-yl-5-(2-phenylcarbazol-9-yl)phenyl]-4-phenyl-2-pyridinyl]-9-phenylcarbazole
CID 139500873
9-[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenanthren-9-ylphenyl]carbazole
CID 139500830
6-(3,5-diphenylphenyl)-9-phenanthren-9-ylindolo[3,2-b]quinoxaline
CID 162702020

Frequently Asked Questions

What is the IUPAC name of 9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-ylphenyl)carbazole?
The IUPAC name of 9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-ylphenyl)carbazole (CID 118531170) is 9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-ylphenyl)carbazole.
What is the SMILES notation for 9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-ylphenyl)carbazole?
The canonical SMILES for 9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-ylphenyl)carbazole is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-n4c5ccc(-c6ccc(-c7cc8ccccc8c8ccccc78)cc6)cc5c5cc(-c6ccc(-c7cc8ccccc8c8ccccc78)cc6)ccc54)c3)cc2)cc1.
What is the InChIKey of 9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-ylphenyl)carbazole?
The InChIKey is WLNKQHMFRSXJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H53N/c1-3-15-54(16-4-1)56-27-31-60(32-28-56)68-47-69(61-33-29-57(30-34-61)55-17-5-2-6-18-55)49-70(48-68)83-81-45-43-64(58-35-39-62(40-36-58)77-52-66-19-7-9-21-71(66)73-23-11-13-25-75(73)77)50-79(81)80-51-65(44-46-82(80)83)59-37-41-63(42-38-59)78-53-67-20-8-10-22-72(67)74-24-12-14-26-76(74)78/h1-53H.
What are the key properties of 9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-ylphenyl)carbazole?
9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-ylphenyl)carbazole has a molecular weight of 1052.33 g/mol, XLogP of 22.73, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-ylphenyl)carbazole is sourced from PubChem (CID 118531170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).