9,9-dimethyl-N-phenyl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-1-amine

C51H38N2 — CID 167255362

IUPAC9,9-dimethyl-N-phenyl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)c21
InChIInChI=1S/C51H38N2/c1-51(2)46-24-14-12-22-42(46)44-32-31-41(37-28-33-48-45(34-37)43-23-13-15-25-47(43)53(48)39-20-10-5-11-21-39)50(49(44)51)52(38-18-8-4-9-19-38)40-29-26-36(27-30-40)35-16-6-3-7-17-35/h3-34H,1-2H3
InChIKeyWZCRDDFVKPJPQY-UHFFFAOYSA-N
MW678.88 g/mol
LogP13.89
Rot. Bonds6

About 9,9-dimethyl-N-phenyl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-1-amine

9,9-dimethyl-N-phenyl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-1-amine (PubChem CID 167255362) has the molecular formula C51H38N2 and a molecular weight of 678.88 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-1-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-phenyl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-1-amine
PubChem CID167255362
Molecular FormulaC51H38N2
Molecular Weight678.88 g/mol
Exact Mass678.30
IUPAC Name9,9-dimethyl-N-phenyl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)c21
InChIInChI=1S/C51H38N2/c1-51(2)46-24-14-12-22-42(46)44-32-31-41(37-28-33-48-45(34-37)43-23-13-15-25-47(43)53(48)39-20-10-5-11-21-39)50(49(44)51)52(38-18-8-4-9-19-38)40-29-26-36(27-30-40)35-16-6-3-7-17-35/h3-34H,1-2H3
InChIKeyWZCRDDFVKPJPQY-UHFFFAOYSA-N
XLogP13.89
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.88
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]fluoren-1-amine
CID 167255297
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine
CID 159845572
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159095793
9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 67964234
4-N-[4-[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]phenyl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 66585196
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-N-(3-phenylphenyl)fluoren-2-amine
CID 162059824
N-phenyl-3-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167255296
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 59171718
4-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-1-amine;9,9-dimethyl-4-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)fluoren-1-amine
CID 159379857
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-yl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 167287563
N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 167527113

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-1-amine?
The IUPAC name of 9,9-dimethyl-N-phenyl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-1-amine (CID 167255362) is 9,9-dimethyl-N-phenyl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-1-amine.
What is the SMILES notation for 9,9-dimethyl-N-phenyl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-1-amine?
The canonical SMILES for 9,9-dimethyl-N-phenyl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-1-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)c21.
What is the InChIKey of 9,9-dimethyl-N-phenyl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-1-amine?
The InChIKey is WZCRDDFVKPJPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N2/c1-51(2)46-24-14-12-22-42(46)44-32-31-41(37-28-33-48-45(34-37)43-23-13-15-25-47(43)53(48)39-20-10-5-11-21-39)50(49(44)51)52(38-18-8-4-9-19-38)40-29-26-36(27-30-40)35-16-6-3-7-17-35/h3-34H,1-2H3.
What are the key properties of 9,9-dimethyl-N-phenyl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-1-amine?
9,9-dimethyl-N-phenyl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-1-amine has a molecular weight of 678.88 g/mol, XLogP of 13.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-phenyl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-1-amine is sourced from PubChem (CID 167255362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).