9-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole

C99H63N — CID 118475183

IUPAC9-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole
SMILESc1ccc(C2(c3ccccc3)c3cc(-c4cccc5ccccc45)ccc3-c3ccc(-n4c5ccc(-c6ccc(-c7ccc(-c8cc9ccccc9c9ccccc89)cc7)cc6)cc5c5cc(-c6ccc(-c7ccc(-c8cc9ccccc9c9ccccc89)cc7)cc6)ccc54)cc32)cc1
InChIInChI=1S/C99H63N/c1-3-22-78(23-4-1)99(79-24-5-2-6-25-79)95-62-77(82-33-17-21-70-18-7-10-26-81(70)82)50-54-89(95)90-55-53-80(63-96(90)99)100-97-56-51-73(68-38-34-64(35-39-68)66-42-46-71(47-43-66)91-60-75-19-8-11-27-83(75)85-29-13-15-31-87(85)91)58-93(97)94-59-74(52-57-98(94)100)69-40-36-65(37-41-69)67-44-48-72(49-45-67)92-61-76-20-9-12-28-84(76)86-30-14-16-32-88(86)92/h1-63H
InChIKeyUVVKZKBSNFQZAD-UHFFFAOYSA-N
MW1266.60 g/mol
LogP26.58
Rot. Bonds10

About 9-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole

9-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole (PubChem CID 118475183) has the molecular formula C99H63N and a molecular weight of 1266.60 g/mol. Its IUPAC name is 9-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name9-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole
PubChem CID118475183
Molecular FormulaC99H63N
Molecular Weight1266.60 g/mol
Exact Mass1265.50
IUPAC Name9-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole
SMILESc1ccc(C2(c3ccccc3)c3cc(-c4cccc5ccccc45)ccc3-c3ccc(-n4c5ccc(-c6ccc(-c7ccc(-c8cc9ccccc9c9ccccc89)cc7)cc6)cc5c5cc(-c6ccc(-c7ccc(-c8cc9ccccc9c9ccccc89)cc7)cc6)ccc54)cc32)cc1
InChIInChI=1S/C99H63N/c1-3-22-78(23-4-1)99(79-24-5-2-6-25-79)95-62-77(82-33-17-21-70-18-7-10-26-81(70)82)50-54-89(95)90-55-53-80(63-96(90)99)100-97-56-51-73(68-38-34-64(35-39-68)66-42-46-71(47-43-66)91-60-75-19-8-11-27-83(75)85-29-13-15-31-87(85)91)58-93(97)94-59-74(52-57-98(94)100)69-40-36-65(37-41-69)67-44-48-72(49-45-67)92-61-76-20-9-12-28-84(76)86-30-14-16-32-88(86)92/h1-63H
InChIKeyUVVKZKBSNFQZAD-UHFFFAOYSA-N
XLogP26.58
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001266.60
LogP ≤ 526.58
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-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-3,6-bis(4-phenanthren-9-ylphenyl)carbazole
CID 118475186
9-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-3,6-bis(4-phenanthren-9-ylphenyl)carbazole
CID 118475197
9-phenanthren-9-yl-11,11-diphenyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 87412983
3,5-bis(4-naphthalen-1-ylphenyl)-1-(7,9,9-triphenylfluoren-2-yl)indole
CID 126620415
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
3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 89118693
9,9-diphenyl-N-(6-phenylnaphthalen-2-yl)-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159629958
3-(4-benzylphenyl)-9-(9,9-diphenylfluoren-2-yl)carbazole
CID 159140546
9-(9,9-dimethylfluoren-2-yl)-3,6-di(phenanthren-9-yl)carbazole
CID 118475067
3-(4-benzylphenyl)-9-(9,9-diphenylfluoren-2-yl)carbazole;3-(4-benzylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 159140544
3,6-bis[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306581

Frequently Asked Questions

What is the IUPAC name of 9-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole?
The IUPAC name of 9-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole (CID 118475183) is 9-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole.
What is the SMILES notation for 9-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole?
The canonical SMILES for 9-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole is c1ccc(C2(c3ccccc3)c3cc(-c4cccc5ccccc45)ccc3-c3ccc(-n4c5ccc(-c6ccc(-c7ccc(-c8cc9ccccc9c9ccccc89)cc7)cc6)cc5c5cc(-c6ccc(-c7ccc(-c8cc9ccccc9c9ccccc89)cc7)cc6)ccc54)cc32)cc1.
What is the InChIKey of 9-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole?
The InChIKey is UVVKZKBSNFQZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H63N/c1-3-22-78(23-4-1)99(79-24-5-2-6-25-79)95-62-77(82-33-17-21-70-18-7-10-26-81(70)82)50-54-89(95)90-55-53-80(63-96(90)99)100-97-56-51-73(68-38-34-64(35-39-68)66-42-46-71(47-43-66)91-60-75-19-8-11-27-83(75)85-29-13-15-31-87(85)91)58-93(97)94-59-74(52-57-98(94)100)69-40-36-65(37-41-69)67-44-48-72(49-45-67)92-61-76-20-9-12-28-84(76)86-30-14-16-32-88(86)92/h1-63H.
What are the key properties of 9-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole?
9-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole has a molecular weight of 1266.60 g/mol, XLogP of 26.58, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole is sourced from PubChem (CID 118475183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).