N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-1-amine

C55H40N2 — CID 170304142

IUPACN-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-1-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)c3cccc4c5ccccc5n(-c5ccccc5)c34)cccc21
InChIInChI=1S/C55H40N2/c1-55(2)46-31-12-9-27-45(46)53-47(55)32-18-35-50(53)57(51-36-17-30-44-42-26-11-13-33-48(42)56(54(44)51)39-23-7-4-8-24-39)49-34-14-10-25-41(49)43-29-16-22-38-21-15-28-40(52(38)43)37-19-5-3-6-20-37/h3-36H,1-2H3
InChIKeyWXOATYKJYLOVEI-UHFFFAOYSA-N
MW728.94 g/mol
LogP15.05
Rot. Bonds6

About N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-1-amine

N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-1-amine (PubChem CID 170304142) has the molecular formula C55H40N2 and a molecular weight of 728.94 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-1-amine
PubChem CID170304142
Molecular FormulaC55H40N2
Molecular Weight728.94 g/mol
Exact Mass728.32
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-1-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)c3cccc4c5ccccc5n(-c5ccccc5)c34)cccc21
InChIInChI=1S/C55H40N2/c1-55(2)46-31-12-9-27-45(46)53-47(55)32-18-35-50(53)57(51-36-17-30-44-42-26-11-13-33-48(42)56(54(44)51)39-23-7-4-8-24-39)49-34-14-10-25-41(49)43-29-16-22-38-21-15-28-40(52(38)43)37-19-5-3-6-20-37/h3-36H,1-2H3
InChIKeyWXOATYKJYLOVEI-UHFFFAOYSA-N
XLogP15.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.94
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(9,9-dimethylfluoren-4-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304270
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-1-amine
CID 170119634
9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-4-amine
CID 121358632
N-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 167222274
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170304295
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]fluoren-2-amine
CID 139568156
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170112243
9,9-diphenyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 170304205
N-[4-[2-(4-benzo[b]carbazol-5-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 134380599
N-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
CID 170138074
9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[8-[9-(3-phenylphenyl)carbazol-1-yl]naphthalen-1-yl]phenyl]fluoren-3-amine
CID 169016086
N-[4-(5,7-diphenylindolo[2,3-b]carbazol-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 121358635

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-1-amine (CID 170304142) is N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-1-amine is CC1(C)c2ccccc2-c2c(N(c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)c3cccc4c5ccccc5n(-c5ccccc5)c34)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-1-amine?
The InChIKey is WXOATYKJYLOVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N2/c1-55(2)46-31-12-9-27-45(46)53-47(55)32-18-35-50(53)57(51-36-17-30-44-42-26-11-13-33-48(42)56(54(44)51)39-23-7-4-8-24-39)49-34-14-10-25-41(49)43-29-16-22-38-21-15-28-40(52(38)43)37-19-5-3-6-20-37/h3-36H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-1-amine?
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-1-amine has a molecular weight of 728.94 g/mol, XLogP of 15.05, 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-4-yl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-1-amine is sourced from PubChem (CID 170304142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).