4-benzyl-3-(2-benzylphenyl)-N-[4-(9-cyclohexa-2,4-dien-1-ylfluoren-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline

C69H53N — CID 144995098

IUPAC4-benzyl-3-(2-benzylphenyl)-N-[4-(9-cyclohexa-2,4-dien-1-ylfluoren-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESC1=CCC(C2(c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4ccc(Cc5ccccc5)c(-c5ccccc5Cc5ccccc5)c4)cc3)c3ccccc3-c3ccccc32)C=C1
InChIInChI=1S/C69H53N/c1-5-20-50(21-6-1)46-56-26-13-14-31-63(56)66-49-62(43-38-57(66)47-51-22-7-2-8-23-51)70(60-41-36-53(37-42-60)55-28-19-27-54(48-55)52-24-9-3-10-25-52)61-44-39-59(40-45-61)69(58-29-11-4-12-30-58)67-34-17-15-32-64(67)65-33-16-18-35-68(65)69/h1-29,31-45,48-49,58H,30,46-47H2
InChIKeySAHZANQUTQRXGI-UHFFFAOYSA-N
MW896.19 g/mol
LogP17.79
Rot. Bonds12

About 4-benzyl-3-(2-benzylphenyl)-N-[4-(9-cyclohexa-2,4-dien-1-ylfluoren-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline

4-benzyl-3-(2-benzylphenyl)-N-[4-(9-cyclohexa-2,4-dien-1-ylfluoren-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 144995098) has the molecular formula C69H53N and a molecular weight of 896.19 g/mol. Its IUPAC name is 4-benzyl-3-(2-benzylphenyl)-N-[4-(9-cyclohexa-2,4-dien-1-ylfluoren-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name4-benzyl-3-(2-benzylphenyl)-N-[4-(9-cyclohexa-2,4-dien-1-ylfluoren-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
PubChem CID144995098
Molecular FormulaC69H53N
Molecular Weight896.19 g/mol
Exact Mass895.42
IUPAC Name4-benzyl-3-(2-benzylphenyl)-N-[4-(9-cyclohexa-2,4-dien-1-ylfluoren-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESC1=CCC(C2(c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4ccc(Cc5ccccc5)c(-c5ccccc5Cc5ccccc5)c4)cc3)c3ccccc3-c3ccccc32)C=C1
InChIInChI=1S/C69H53N/c1-5-20-50(21-6-1)46-56-26-13-14-31-63(56)66-49-62(43-38-57(66)47-51-22-7-2-8-23-51)70(60-41-36-53(37-42-60)55-28-19-27-54(48-55)52-24-9-3-10-25-52)61-44-39-59(40-45-61)69(58-29-11-4-12-30-58)67-34-17-15-32-64(67)65-33-16-18-35-68(65)69/h1-29,31-45,48-49,58H,30,46-47H2
InChIKeySAHZANQUTQRXGI-UHFFFAOYSA-N
XLogP17.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.19
LogP ≤ 517.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 156558180
9-cyclohexa-2,4-dien-1-yl-N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,9-diphenylfluoren-2-amine
CID 118462727
9-cyclohexa-2,4-dien-1-yl-N-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170140995
N-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-2-yl)-7,9,9-trimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-methyl-10-(2-methylphenyl)phenanthrene
CID 144741257
9-cyclohexa-2,4-dien-1-yl-N,9-diphenyl-N-[3-(2-phenyl-21-thia-2-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(23),3,5,7,9,11,13(24),14(22),15(20),16,18-undecaen-17-yl)phenyl]fluoren-3-amine
CID 145313382
9-cyclohexa-2,4-dien-1-yl-N-[3-[5-methyl-4-[2-[(Z)-2-phenylethenyl]phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine
CID 144810452
9-cyclohexa-2,4-dien-1-yl-N-[4-(7-methyl-9-phenyl-4b,7,8,8a-tetrahydrocarbazol-3-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 166777833
N-[4-[4-[3,4-bis[(1Z)-buta-1,3-dienyl]phenyl]phenyl]phenyl]-9-cyclohexa-2,4-dien-1-yl-9-phenyl-N-(2,3,5,6-tetradeuterio-4-hexa-1,5-dien-2-ylphenyl)fluoren-2-amine
CID 153471068
N-[4-[4-benzyl-3-(2-benzylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 155214818
9-cyclohexa-2,4-dien-1-yl-9-phenyl-N-[3-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 156558937
9-cyclohexa-2,4-dien-1-yl-N-[(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]-9-phenyl-N-[3-phenyl-4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 134194356
9-cyclohexa-2,4-dien-1-yl-2-(7-iodonaphthalen-2-yl)-9-phenylfluorene
CID 126546614

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-(2-benzylphenyl)-N-[4-(9-cyclohexa-2,4-dien-1-ylfluoren-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline?
The IUPAC name of 4-benzyl-3-(2-benzylphenyl)-N-[4-(9-cyclohexa-2,4-dien-1-ylfluoren-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline (CID 144995098) is 4-benzyl-3-(2-benzylphenyl)-N-[4-(9-cyclohexa-2,4-dien-1-ylfluoren-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 4-benzyl-3-(2-benzylphenyl)-N-[4-(9-cyclohexa-2,4-dien-1-ylfluoren-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline?
The canonical SMILES for 4-benzyl-3-(2-benzylphenyl)-N-[4-(9-cyclohexa-2,4-dien-1-ylfluoren-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline is C1=CCC(C2(c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4ccc(Cc5ccccc5)c(-c5ccccc5Cc5ccccc5)c4)cc3)c3ccccc3-c3ccccc32)C=C1.
What is the InChIKey of 4-benzyl-3-(2-benzylphenyl)-N-[4-(9-cyclohexa-2,4-dien-1-ylfluoren-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline?
The InChIKey is SAHZANQUTQRXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H53N/c1-5-20-50(21-6-1)46-56-26-13-14-31-63(56)66-49-62(43-38-57(66)47-51-22-7-2-8-23-51)70(60-41-36-53(37-42-60)55-28-19-27-54(48-55)52-24-9-3-10-25-52)61-44-39-59(40-45-61)69(58-29-11-4-12-30-58)67-34-17-15-32-64(67)65-33-16-18-35-68(65)69/h1-29,31-45,48-49,58H,30,46-47H2.
What are the key properties of 4-benzyl-3-(2-benzylphenyl)-N-[4-(9-cyclohexa-2,4-dien-1-ylfluoren-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline?
4-benzyl-3-(2-benzylphenyl)-N-[4-(9-cyclohexa-2,4-dien-1-ylfluoren-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline has a molecular weight of 896.19 g/mol, XLogP of 17.79, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-(2-benzylphenyl)-N-[4-(9-cyclohexa-2,4-dien-1-ylfluoren-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 144995098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).