7-carbazol-9-yl-N-[4-(3,5-dimethylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C53H42N2 — CID 134370655

IUPAC7-carbazol-9-yl-N-[4-(3,5-dimethylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCc1cc(C)cc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3cc(-n5c6ccccc6c6ccccc65)ccc3-4)cc2)c1
InChIInChI=1S/C53H42N2/c1-35-30-36(2)32-40(31-35)39-20-24-42(25-21-39)54(41-22-18-38(19-23-41)37-12-6-5-7-13-37)43-26-28-45-46-29-27-44(34-50(46)53(3,4)49(45)33-43)55-51-16-10-8-14-47(51)48-15-9-11-17-52(48)55/h5-34H,1-4H3
InChIKeyXHCHEEHDEXXYIQ-UHFFFAOYSA-N
MW706.93 g/mol
LogP14.51
Rot. Bonds6

About 7-carbazol-9-yl-N-[4-(3,5-dimethylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

7-carbazol-9-yl-N-[4-(3,5-dimethylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 134370655) has the molecular formula C53H42N2 and a molecular weight of 706.93 g/mol. Its IUPAC name is 7-carbazol-9-yl-N-[4-(3,5-dimethylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name7-carbazol-9-yl-N-[4-(3,5-dimethylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID134370655
Molecular FormulaC53H42N2
Molecular Weight706.93 g/mol
Exact Mass706.33
IUPAC Name7-carbazol-9-yl-N-[4-(3,5-dimethylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCc1cc(C)cc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3cc(-n5c6ccccc6c6ccccc65)ccc3-4)cc2)c1
InChIInChI=1S/C53H42N2/c1-35-30-36(2)32-40(31-35)39-20-24-42(25-21-39)54(41-22-18-38(19-23-41)37-12-6-5-7-13-37)43-26-28-45-46-29-27-44(34-50(46)53(3,4)49(45)33-43)55-51-16-10-8-14-47(51)48-15-9-11-17-52(48)55/h5-34H,1-4H3
InChIKeyXHCHEEHDEXXYIQ-UHFFFAOYSA-N
XLogP14.51
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.93
LogP ≤ 514.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]-N,N-bis(4-phenylphenyl)carbazol-3-amine
CID 135163375
7-carbazol-9-yl-N-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 134370640
N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158799608
6-carbazol-9-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;6-carbazol-9-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 159916730
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-phenylphenyl)fluorene-2,7-diamine;7-(3,6-diphenylcarbazol-9-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158713660
7-carbazol-9-yl-9,9-dimethyl-N,N-bis[3-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58390067
9,9-dimethyl-N-phenyl-7-(3-phenylcarbazol-9-yl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 58390142
9,9-dimethyl-N-phenyl-7-(3-phenylcarbazol-9-yl)-N-[3-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58390145
7-carbazol-9-yl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 58389898
7-carbazol-9-yl-N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 89213014
7-carbazol-9-yl-9,9-dimethyl-N,N-bis[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 89213136
7,7-dimethyl-5-phenyl-N,N-bis(4-phenylphenyl)indeno[2,1-b]carbazol-9-amine
CID 66805021

Frequently Asked Questions

What is the IUPAC name of 7-carbazol-9-yl-N-[4-(3,5-dimethylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 7-carbazol-9-yl-N-[4-(3,5-dimethylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 134370655) is 7-carbazol-9-yl-N-[4-(3,5-dimethylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 7-carbazol-9-yl-N-[4-(3,5-dimethylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 7-carbazol-9-yl-N-[4-(3,5-dimethylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is Cc1cc(C)cc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3cc(-n5c6ccccc6c6ccccc65)ccc3-4)cc2)c1.
What is the InChIKey of 7-carbazol-9-yl-N-[4-(3,5-dimethylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is XHCHEEHDEXXYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H42N2/c1-35-30-36(2)32-40(31-35)39-20-24-42(25-21-39)54(41-22-18-38(19-23-41)37-12-6-5-7-13-37)43-26-28-45-46-29-27-44(34-50(46)53(3,4)49(45)33-43)55-51-16-10-8-14-47(51)48-15-9-11-17-52(48)55/h5-34H,1-4H3.
What are the key properties of 7-carbazol-9-yl-N-[4-(3,5-dimethylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
7-carbazol-9-yl-N-[4-(3,5-dimethylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 706.93 g/mol, XLogP of 14.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-carbazol-9-yl-N-[4-(3,5-dimethylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 134370655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).