9-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-3,6-bis(4-phenanthren-9-ylphenyl)carbazole

C77H51N — CID 118475197

IUPAC9-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-3,6-bis(4-phenanthren-9-ylphenyl)carbazole
SMILESCC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(-n3c4ccc(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)cc4c4cc(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)ccc43)cc21
InChIInChI=1S/C77H51N/c1-77(2)73-46-57(60-25-13-17-50-14-3-6-18-59(50)60)34-38-67(73)68-39-37-58(47-74(68)77)78-75-40-35-53(48-26-30-51(31-27-48)69-44-55-15-4-7-19-61(55)63-21-9-11-23-65(63)69)42-71(75)72-43-54(36-41-76(72)78)49-28-32-52(33-29-49)70-45-56-16-5-8-20-62(56)64-22-10-12-24-66(64)70/h3-47H,1-2H3
InChIKeyHTXJZMWKJHQTHI-UHFFFAOYSA-N
MW990.26 g/mol
LogP21.19
Rot. Bonds6

About 9-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-3,6-bis(4-phenanthren-9-ylphenyl)carbazole

9-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-3,6-bis(4-phenanthren-9-ylphenyl)carbazole (PubChem CID 118475197) has the molecular formula C77H51N and a molecular weight of 990.26 g/mol. Its IUPAC name is 9-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-3,6-bis(4-phenanthren-9-ylphenyl)carbazole.

Molecular Properties

Compound Name9-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-3,6-bis(4-phenanthren-9-ylphenyl)carbazole
PubChem CID118475197
Molecular FormulaC77H51N
Molecular Weight990.26 g/mol
Exact Mass989.40
IUPAC Name9-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-3,6-bis(4-phenanthren-9-ylphenyl)carbazole
SMILESCC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(-n3c4ccc(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)cc4c4cc(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)ccc43)cc21
InChIInChI=1S/C77H51N/c1-77(2)73-46-57(60-25-13-17-50-14-3-6-18-59(50)60)34-38-67(73)68-39-37-58(47-74(68)77)78-75-40-35-53(48-26-30-51(31-27-48)69-44-55-15-4-7-19-61(55)63-21-9-11-23-65(63)69)42-71(75)72-43-54(36-41-76(72)78)49-28-32-52(33-29-49)70-45-56-16-5-8-20-62(56)64-22-10-12-24-66(64)70/h3-47H,1-2H3
InChIKeyHTXJZMWKJHQTHI-UHFFFAOYSA-N
XLogP21.19
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500990.26
LogP ≤ 521.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-3,6-bis(4-phenanthren-9-ylphenyl)carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(9,9-dimethylfluoren-2-yl)-3,6-di(phenanthren-9-yl)carbazole
CID 118475067
9-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-3,6-bis(4-phenanthren-9-ylphenyl)carbazole
CID 118475186
9-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole
CID 118475183
9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]phenanthrene
CID 58569211
6-(9,9-dimethylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole;6-phenanthren-9-yl-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 161421085
9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-5-phenylphenyl]phenanthrene
CID 58569124
3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-naphthalen-1-ylphenyl]-9-(4-phenylphenyl)carbazole;3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-phenylphenyl]-9-(4-phenylphenyl)carbazole;9-phenyl-3-[3-phenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158437914
6-[4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenyl]chrysene
CID 58569084
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,6-diphenylcarbazole
CID 118475086
2-(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene;9,10-dinaphthalen-2-yl-2-phenanthren-9-ylanthracene
CID 162036114
2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene
CID 123969680
2-(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene;9,10-diphenyl-2-(4-phenylphenyl)anthracene;2-(4-naphthalen-1-ylphenyl)-9,10-diphenylanthracene;2-phenanthren-9-yl-9,10-diphenylanthracene
CID 161191738

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-3,6-bis(4-phenanthren-9-ylphenyl)carbazole?
The IUPAC name of 9-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-3,6-bis(4-phenanthren-9-ylphenyl)carbazole (CID 118475197) is 9-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-3,6-bis(4-phenanthren-9-ylphenyl)carbazole.
What is the SMILES notation for 9-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-3,6-bis(4-phenanthren-9-ylphenyl)carbazole?
The canonical SMILES for 9-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-3,6-bis(4-phenanthren-9-ylphenyl)carbazole is CC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(-n3c4ccc(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)cc4c4cc(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)ccc43)cc21.
What is the InChIKey of 9-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-3,6-bis(4-phenanthren-9-ylphenyl)carbazole?
The InChIKey is HTXJZMWKJHQTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H51N/c1-77(2)73-46-57(60-25-13-17-50-14-3-6-18-59(50)60)34-38-67(73)68-39-37-58(47-74(68)77)78-75-40-35-53(48-26-30-51(31-27-48)69-44-55-15-4-7-19-61(55)63-21-9-11-23-65(63)69)42-71(75)72-43-54(36-41-76(72)78)49-28-32-52(33-29-49)70-45-56-16-5-8-20-62(56)64-22-10-12-24-66(64)70/h3-47H,1-2H3.
What are the key properties of 9-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-3,6-bis(4-phenanthren-9-ylphenyl)carbazole?
9-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-3,6-bis(4-phenanthren-9-ylphenyl)carbazole has a molecular weight of 990.26 g/mol, XLogP of 21.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-3,6-bis(4-phenanthren-9-ylphenyl)carbazole is sourced from PubChem (CID 118475197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).