9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)carbazole

C94H61N — CID 118531280

IUPAC9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-n4c5ccc(-c6ccc(-c7cc8ccccc8c8ccccc78)cc6-c6ccccc6)cc5c5cc(-c6ccc(-c7cc8ccccc8c8ccccc78)cc6-c6ccccc6)ccc54)c3)cc2)cc1
InChIInChI=1S/C94H61N/c1-5-21-62(22-6-1)64-37-41-66(42-38-64)76-53-77(67-43-39-65(40-44-67)63-23-7-2-8-24-63)55-78(54-76)95-93-51-47-72(81-49-45-74(58-87(81)68-25-9-3-10-26-68)89-56-70-29-13-15-31-79(70)83-33-17-19-35-85(83)89)60-91(93)92-61-73(48-52-94(92)95)82-50-46-75(59-88(82)69-27-11-4-12-28-69)90-57-71-30-14-16-32-80(71)84-34-18-20-36-86(84)90/h1-61H
InChIKeyNVIXIBSQFPXINC-UHFFFAOYSA-N
MW1204.53 g/mol
LogP26.07
Rot. Bonds11

About 9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)carbazole

9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)carbazole (PubChem CID 118531280) has the molecular formula C94H61N and a molecular weight of 1204.53 g/mol. Its IUPAC name is 9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)carbazole.

Molecular Properties

Compound Name9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)carbazole
PubChem CID118531280
Molecular FormulaC94H61N
Molecular Weight1204.53 g/mol
Exact Mass1203.48
IUPAC Name9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-n4c5ccc(-c6ccc(-c7cc8ccccc8c8ccccc78)cc6-c6ccccc6)cc5c5cc(-c6ccc(-c7cc8ccccc8c8ccccc78)cc6-c6ccccc6)ccc54)c3)cc2)cc1
InChIInChI=1S/C94H61N/c1-5-21-62(22-6-1)64-37-41-66(42-38-64)76-53-77(67-43-39-65(40-44-67)63-23-7-2-8-24-63)55-78(54-76)95-93-51-47-72(81-49-45-74(58-87(81)68-25-9-3-10-26-68)89-56-70-29-13-15-31-79(70)83-33-17-19-35-85(83)89)60-91(93)92-61-73(48-52-94(92)95)82-50-46-75(59-88(82)69-27-11-4-12-28-69)90-57-71-30-14-16-32-80(71)84-34-18-20-36-86(84)90/h1-61H
InChIKeyNVIXIBSQFPXINC-UHFFFAOYSA-N
XLogP26.07
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001204.53
LogP ≤ 526.07
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

3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)-9-(4-phenylphenyl)carbazole
CID 118971958
9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-ylphenyl)carbazole
CID 118531170
9-[3,5-di(phenanthren-9-yl)phenyl]-3,6-bis(4-phenylphenyl)carbazole;ethane
CID 144963563
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
6-(3,5-diphenylphenyl)-9-phenanthren-9-ylindolo[3,2-b]quinoxaline
CID 162702020
3-[9-[3-(2,4-diphenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 144560233
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
9-[3,4-bis(3-phenylphenyl)phenyl]-3-carbazol-9-ylcarbazole;3-carbazol-9-yl-9-[3-(3,5-diphenylphenyl)-5-(3-phenylphenyl)phenyl]carbazole;3-carbazol-9-yl-9-[3-(3,5-diphenylphenyl)-5-(4-phenylphenyl)phenyl]carbazole
CID 159370962
9-(3,5-diphenylphenyl)-3-[8-[9-(3,5-diphenylphenyl)carbazol-3-yl]naphthalen-1-yl]carbazole
CID 169016186

Frequently Asked Questions

What is the IUPAC name of 9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)carbazole?
The IUPAC name of 9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)carbazole (CID 118531280) is 9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)carbazole.
What is the SMILES notation for 9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)carbazole?
The canonical SMILES for 9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)carbazole is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-n4c5ccc(-c6ccc(-c7cc8ccccc8c8ccccc78)cc6-c6ccccc6)cc5c5cc(-c6ccc(-c7cc8ccccc8c8ccccc78)cc6-c6ccccc6)ccc54)c3)cc2)cc1.
What is the InChIKey of 9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)carbazole?
The InChIKey is NVIXIBSQFPXINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H61N/c1-5-21-62(22-6-1)64-37-41-66(42-38-64)76-53-77(67-43-39-65(40-44-67)63-23-7-2-8-24-63)55-78(54-76)95-93-51-47-72(81-49-45-74(58-87(81)68-25-9-3-10-26-68)89-56-70-29-13-15-31-79(70)83-33-17-19-35-85(83)89)60-91(93)92-61-73(48-52-94(92)95)82-50-46-75(59-88(82)69-27-11-4-12-28-69)90-57-71-30-14-16-32-80(71)84-34-18-20-36-86(84)90/h1-61H.
What are the key properties of 9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)carbazole?
9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)carbazole has a molecular weight of 1204.53 g/mol, XLogP of 26.07, 11 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-yl-2-phenylphenyl)carbazole is sourced from PubChem (CID 118531280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).