4-phenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]aniline

C79H56N2 — CID 145060230

IUPAC4-phenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)c5c(c4)-c4ccccc4C5c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C79H56N2/c1-6-18-56(19-7-1)60-30-42-68(43-31-60)80(69-44-32-61(33-45-69)57-20-8-2-9-21-57)72-50-38-64(39-51-72)67-54-76(79-77(55-67)74-28-16-17-29-75(74)78(79)66-26-14-5-15-27-66)65-40-52-73(53-41-65)81(70-46-34-62(35-47-70)58-22-10-3-11-23-58)71-48-36-63(37-49-71)59-24-12-4-13-25-59/h1-55,78H
InChIKeyOKLBVHGONLONMM-UHFFFAOYSA-N
MW1033.33 g/mol
LogP21.79
Rot. Bonds13

About 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]aniline

4-phenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]aniline (PubChem CID 145060230) has the molecular formula C79H56N2 and a molecular weight of 1033.33 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]aniline.

Molecular Properties

Compound Name4-phenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]aniline
PubChem CID145060230
Molecular FormulaC79H56N2
Molecular Weight1033.33 g/mol
Exact Mass1032.44
IUPAC Name4-phenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)c5c(c4)-c4ccccc4C5c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C79H56N2/c1-6-18-56(19-7-1)60-30-42-68(43-31-60)80(69-44-32-61(33-45-69)57-20-8-2-9-21-57)72-50-38-64(39-51-72)67-54-76(79-77(55-67)74-28-16-17-29-75(74)78(79)66-26-14-5-15-27-66)65-40-52-73(53-41-65)81(70-46-34-62(35-47-70)58-22-10-3-11-23-58)71-48-36-63(37-49-71)59-24-12-4-13-25-59/h1-55,78H
InChIKeyOKLBVHGONLONMM-UHFFFAOYSA-N
XLogP21.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001033.33
LogP ≤ 521.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]aniline with MolForge

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Related Compounds

N,4-diphenyl-N-[4-[4-(6,8,9-triphenyl-9H-fluoren-3-yl)phenyl]phenyl]aniline
CID 129256095
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-2-amine
CID 129265016
7-fluoro-1,3,9-triphenyl-9H-fluorene
CID 57338507
N,9-diphenyl-N-[3-[2-[3-(N-(9-phenyl-9H-fluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9H-fluoren-2-amine
CID 129061482
N-[4-[2-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 146665575
9-[4-[4-[4-(9H-fluoren-9-yl)phenyl]-2-phenylphenyl]phenyl]-9H-fluorene
CID 58556035
1-(4-chlorophenyl)-7-methyl-3,9-diphenyl-9H-fluorene
CID 57338546
1-(4-bromophenyl)-7-methyl-3,9-diphenyl-9H-fluorene
CID 57338547
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665483
9-[4-[3-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]phenyl]-9H-fluorene
CID 58556073
2,4,6-triphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(2,4,6-triphenylphenyl)anilino)phenyl]phenyl]aniline
CID 90132240
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]aniline?
The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]aniline (CID 145060230) is 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]aniline.
What is the SMILES notation for 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]aniline?
The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)c5c(c4)-c4ccccc4C5c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]aniline?
The InChIKey is OKLBVHGONLONMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H56N2/c1-6-18-56(19-7-1)60-30-42-68(43-31-60)80(69-44-32-61(33-45-69)57-20-8-2-9-21-57)72-50-38-64(39-51-72)67-54-76(79-77(55-67)74-28-16-17-29-75(74)78(79)66-26-14-5-15-27-66)65-40-52-73(53-41-65)81(70-46-34-62(35-47-70)58-22-10-3-11-23-58)71-48-36-63(37-49-71)59-24-12-4-13-25-59/h1-55,78H.
What are the key properties of 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]aniline?
4-phenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]aniline has a molecular weight of 1033.33 g/mol, XLogP of 21.79, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]aniline is sourced from PubChem (CID 145060230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).