N-(9,9-dimethylfluoren-2-yl)-N-(2,3-dinaphthalen-1-ylphenyl)-9-phenylcarbazol-3-amine

C59H42N2 — CID 177097181

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(2,3-dinaphthalen-1-ylphenyl)-9-phenylcarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc(-c4cccc5ccccc45)c3-c3cccc4ccccc34)cc21
InChIInChI=1S/C59H42N2/c1-59(2)53-30-12-10-25-47(53)48-35-33-43(38-54(48)59)60(42-34-36-56-52(37-42)49-26-11-13-31-55(49)61(56)41-21-4-3-5-22-41)57-32-16-29-51(46-27-14-19-39-17-6-8-23-44(39)46)58(57)50-28-15-20-40-18-7-9-24-45(40)50/h3-38H,1-2H3
InChIKeyPJRBZTSSZUENSG-UHFFFAOYSA-N
MW779.00 g/mol
LogP16.20
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-N-(2,3-dinaphthalen-1-ylphenyl)-9-phenylcarbazol-3-amine

N-(9,9-dimethylfluoren-2-yl)-N-(2,3-dinaphthalen-1-ylphenyl)-9-phenylcarbazol-3-amine (PubChem CID 177097181) has the molecular formula C59H42N2 and a molecular weight of 779.00 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(2,3-dinaphthalen-1-ylphenyl)-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(2,3-dinaphthalen-1-ylphenyl)-9-phenylcarbazol-3-amine
PubChem CID177097181
Molecular FormulaC59H42N2
Molecular Weight779.00 g/mol
Exact Mass778.33
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(2,3-dinaphthalen-1-ylphenyl)-9-phenylcarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc(-c4cccc5ccccc45)c3-c3cccc4ccccc34)cc21
InChIInChI=1S/C59H42N2/c1-59(2)53-30-12-10-25-47(53)48-35-33-43(38-54(48)59)60(42-34-36-56-52(37-42)49-26-11-13-31-55(49)61(56)41-21-4-3-5-22-41)57-32-16-29-51(46-27-14-19-39-17-6-8-23-44(39)46)58(57)50-28-15-20-40-18-7-9-24-45(40)50/h3-38H,1-2H3
InChIKeyPJRBZTSSZUENSG-UHFFFAOYSA-N
XLogP16.20
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.00
LogP ≤ 516.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine
CID 164774361
9,9-dimethyl-N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 162198244
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 71175461
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 167286124
N-[9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 89212870
N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine
CID 164774440
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]fluoren-2-amine
CID 144831028
N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[9-(4-ethenylphenyl)carbazol-3-yl]amino]phenyl]phenyl]-9-(4-ethenylphenyl)carbazol-3-amine;9-(4-ethenylphenyl)-N-[4-[4-[[9-(4-ethenylphenyl)carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-ylcarbazol-3-amine;9-(4-ethenylphenyl)-N-[4-[4-(N-[9-(4-ethenylphenyl)carbazol-3-yl]-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)carbazol-3-amine;methane
CID 157074747
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 170138253
9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 168790284
5-(9,9-dimethylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-1-yl)benzo[b]carbazol-3-amine
CID 145335074
N-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 137392093

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(2,3-dinaphthalen-1-ylphenyl)-9-phenylcarbazol-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(2,3-dinaphthalen-1-ylphenyl)-9-phenylcarbazol-3-amine (CID 177097181) is N-(9,9-dimethylfluoren-2-yl)-N-(2,3-dinaphthalen-1-ylphenyl)-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(2,3-dinaphthalen-1-ylphenyl)-9-phenylcarbazol-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(2,3-dinaphthalen-1-ylphenyl)-9-phenylcarbazol-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc(-c4cccc5ccccc45)c3-c3cccc4ccccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(2,3-dinaphthalen-1-ylphenyl)-9-phenylcarbazol-3-amine?
The InChIKey is PJRBZTSSZUENSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42N2/c1-59(2)53-30-12-10-25-47(53)48-35-33-43(38-54(48)59)60(42-34-36-56-52(37-42)49-26-11-13-31-55(49)61(56)41-21-4-3-5-22-41)57-32-16-29-51(46-27-14-19-39-17-6-8-23-44(39)46)58(57)50-28-15-20-40-18-7-9-24-45(40)50/h3-38H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(2,3-dinaphthalen-1-ylphenyl)-9-phenylcarbazol-3-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(2,3-dinaphthalen-1-ylphenyl)-9-phenylcarbazol-3-amine has a molecular weight of 779.00 g/mol, XLogP of 16.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-(2,3-dinaphthalen-1-ylphenyl)-9-phenylcarbazol-3-amine is sourced from PubChem (CID 177097181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).