N-(9,9-dimethyl-1-phenylfluoren-3-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine

C51H38N2 — CID 167197123

IUPACN-(9,9-dimethyl-1-phenylfluoren-3-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc(-c3ccccc3)c21
InChIInChI=1S/C51H38N2/c1-51(2)47-24-14-12-22-42(47)46-34-41(33-44(50(46)51)37-18-8-4-9-19-37)52(39-28-26-36(27-29-39)35-16-6-3-7-17-35)40-30-31-49-45(32-40)43-23-13-15-25-48(43)53(49)38-20-10-5-11-21-38/h3-34H,1-2H3
InChIKeyWQRHIPKKHGNMAB-UHFFFAOYSA-N
MW678.88 g/mol
LogP13.89
Rot. Bonds6

About N-(9,9-dimethyl-1-phenylfluoren-3-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine

N-(9,9-dimethyl-1-phenylfluoren-3-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine (PubChem CID 167197123) has the molecular formula C51H38N2 and a molecular weight of 678.88 g/mol. Its IUPAC name is N-(9,9-dimethyl-1-phenylfluoren-3-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-1-phenylfluoren-3-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
PubChem CID167197123
Molecular FormulaC51H38N2
Molecular Weight678.88 g/mol
Exact Mass678.30
IUPAC NameN-(9,9-dimethyl-1-phenylfluoren-3-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc(-c3ccccc3)c21
InChIInChI=1S/C51H38N2/c1-51(2)47-24-14-12-22-42(47)46-34-41(33-44(50(46)51)37-18-8-4-9-19-37)52(39-28-26-36(27-29-39)35-16-6-3-7-17-35)40-30-31-49-45(32-40)43-23-13-15-25-48(43)53(49)38-20-10-5-11-21-38/h3-34H,1-2H3
InChIKeyWQRHIPKKHGNMAB-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

N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-1-phenyl-N-(4-phenylphenyl)fluoren-3-amine
CID 167197133
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 158241531
9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 67964234
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine
CID 90261832
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
1-N-(9,9-dimethylfluoren-3-yl)-1-N,4-N-bis(4-methylphenyl)-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 71249275
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-(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-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951
N-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 134164505
2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine;N,9-diphenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 159625634
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 159513219

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-1-phenylfluoren-3-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine?
The IUPAC name of N-(9,9-dimethyl-1-phenylfluoren-3-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine (CID 167197123) is N-(9,9-dimethyl-1-phenylfluoren-3-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for N-(9,9-dimethyl-1-phenylfluoren-3-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine?
The canonical SMILES for N-(9,9-dimethyl-1-phenylfluoren-3-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc(-c3ccccc3)c21.
What is the InChIKey of N-(9,9-dimethyl-1-phenylfluoren-3-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine?
The InChIKey is WQRHIPKKHGNMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N2/c1-51(2)47-24-14-12-22-42(47)46-34-41(33-44(50(46)51)37-18-8-4-9-19-37)52(39-28-26-36(27-29-39)35-16-6-3-7-17-35)40-30-31-49-45(32-40)43-23-13-15-25-48(43)53(49)38-20-10-5-11-21-38/h3-34H,1-2H3.
What are the key properties of N-(9,9-dimethyl-1-phenylfluoren-3-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine?
N-(9,9-dimethyl-1-phenylfluoren-3-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-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 N-(9,9-dimethyl-1-phenylfluoren-3-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 167197123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).