1-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-N,N-diphenyl-9H-carbazol-3-amine

C51H39N3 — CID 154697182

IUPAC1-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-N,N-diphenyl-9H-carbazol-3-amine
SMILESCC1(C)c2cc(-c3cc(N(c4ccccc4)c4ccccc4)cc4c3[nH]c3ccccc34)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C51H39N3/c1-51(2)47-31-35(27-29-42(47)43-30-28-40(34-48(43)51)53(36-17-7-3-8-18-36)37-19-9-4-10-20-37)45-32-41(33-46-44-25-15-16-26-49(44)52-50(45)46)54(38-21-11-5-12-22-38)39-23-13-6-14-24-39/h3-34,52H,1-2H3
InChIKeyIQUZJSJPZADYQR-UHFFFAOYSA-N
MW693.89 g/mol
LogP14.23
Rot. Bonds7

About 1-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-N,N-diphenyl-9H-carbazol-3-amine

1-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-N,N-diphenyl-9H-carbazol-3-amine (PubChem CID 154697182) has the molecular formula C51H39N3 and a molecular weight of 693.89 g/mol. Its IUPAC name is 1-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-N,N-diphenyl-9H-carbazol-3-amine.

Molecular Properties

Compound Name1-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-N,N-diphenyl-9H-carbazol-3-amine
PubChem CID154697182
Molecular FormulaC51H39N3
Molecular Weight693.89 g/mol
Exact Mass693.31
IUPAC Name1-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-N,N-diphenyl-9H-carbazol-3-amine
SMILESCC1(C)c2cc(-c3cc(N(c4ccccc4)c4ccccc4)cc4c3[nH]c3ccccc34)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C51H39N3/c1-51(2)47-31-35(27-29-42(47)43-30-28-40(34-48(43)51)53(36-17-7-3-8-18-36)37-19-9-4-10-20-37)45-32-41(33-46-44-25-15-16-26-49(44)52-50(45)46)54(38-21-11-5-12-22-38)39-23-13-6-14-24-39/h3-34,52H,1-2H3
InChIKeyIQUZJSJPZADYQR-UHFFFAOYSA-N
XLogP14.23
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.89
LogP ≤ 514.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(9,9-dimethylfluoren-2-yl)-N,N-diphenyl-9H-carbazol-3-amine
CID 154697085
1-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9H-carbazol-3-amine
CID 154697176
N-[4-(9H-carbazol-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59306861
1-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N,N-bis(4-phenylphenyl)-9H-carbazol-3-amine
CID 154697226
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445
7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 153018330
9,9-dimethyl-7-naphthalen-1-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118500254
5-[7-[3,5-bis(N-(4-phenylphenyl)anilino)phenyl]-9,9-dimethylfluoren-2-yl]-1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 59510953
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 23561352
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-yl-N-phenylfluoren-2-amine
CID 118500286

Frequently Asked Questions

What is the IUPAC name of 1-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-N,N-diphenyl-9H-carbazol-3-amine?
The IUPAC name of 1-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-N,N-diphenyl-9H-carbazol-3-amine (CID 154697182) is 1-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-N,N-diphenyl-9H-carbazol-3-amine.
What is the SMILES notation for 1-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-N,N-diphenyl-9H-carbazol-3-amine?
The canonical SMILES for 1-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-N,N-diphenyl-9H-carbazol-3-amine is CC1(C)c2cc(-c3cc(N(c4ccccc4)c4ccccc4)cc4c3[nH]c3ccccc34)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 1-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-N,N-diphenyl-9H-carbazol-3-amine?
The InChIKey is IQUZJSJPZADYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H39N3/c1-51(2)47-31-35(27-29-42(47)43-30-28-40(34-48(43)51)53(36-17-7-3-8-18-36)37-19-9-4-10-20-37)45-32-41(33-46-44-25-15-16-26-49(44)52-50(45)46)54(38-21-11-5-12-22-38)39-23-13-6-14-24-39/h3-34,52H,1-2H3.
What are the key properties of 1-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-N,N-diphenyl-9H-carbazol-3-amine?
1-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-N,N-diphenyl-9H-carbazol-3-amine has a molecular weight of 693.89 g/mol, XLogP of 14.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-N,N-diphenyl-9H-carbazol-3-amine is sourced from PubChem (CID 154697182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).