N,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline

C37H27N — CID 158121495

IUPACN,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline
SMILESc1ccc(-c2ccc3c(c2)-c2cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc2C3)cc1
InChIInChI=1S/C37H27N/c1-4-10-27(11-5-1)29-16-18-31-24-32-19-17-30(26-37(32)36(31)25-29)28-20-22-35(23-21-28)38(33-12-6-2-7-13-33)34-14-8-3-9-15-34/h1-23,25-26H,24H2
InChIKeyRRLVKBCDDBFOLU-UHFFFAOYSA-N
MW485.63 g/mol
LogP10.06
Rot. Bonds5

About N,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline

N,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline (PubChem CID 158121495) has the molecular formula C37H27N and a molecular weight of 485.63 g/mol. Its IUPAC name is N,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline
PubChem CID158121495
Molecular FormulaC37H27N
Molecular Weight485.63 g/mol
Exact Mass485.21
IUPAC NameN,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline
SMILESc1ccc(-c2ccc3c(c2)-c2cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc2C3)cc1
InChIInChI=1S/C37H27N/c1-4-10-27(11-5-1)29-16-18-31-24-32-19-17-30(26-37(32)36(31)25-29)28-20-22-35(23-21-28)38(33-12-6-2-7-13-33)34-14-8-3-9-15-34/h1-23,25-26H,24H2
InChIKeyRRLVKBCDDBFOLU-UHFFFAOYSA-N
XLogP10.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.63
LogP ≤ 510.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(9H-fluoren-3-yl)-N,N-diphenylaniline
CID 157436916
N,N-diphenyl-3-[6-[3-(N-phenylanilino)phenyl]-9H-fluoren-3-yl]aniline
CID 157405754
4-(6-methyl-9H-fluoren-3-yl)-N,N-diphenylaniline
CID 157107572
N,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline;N,N-diphenyl-4-[6-(2-phenylphenyl)-9H-fluoren-3-yl]aniline;N,N-diphenyl-4-[6-(3-phenylphenyl)-9H-fluoren-3-yl]aniline;4-(9H-fluoren-3-yl)-N,N-diphenylaniline
CID 161002585
3-(9H-fluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 146386867
N,4-diphenyl-N-[4-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]aniline;2-methyl-N-[4-[6-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]-N-(2-methylphenyl)aniline;2-methyl-N-[4-[6-[4-(N-(2-methylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]-N-phenylaniline;bis(4-methyl-N-[4-[6-[4-(N-(4-methylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]-N-phenylaniline)
CID 157494177
1-N-[3-(9H-fluoren-3-yl)phenyl]-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine
CID 121465238
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003706
N,N-diphenyl-4-[4-(N-[4-[3-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]aniline
CID 59566446
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline?
The IUPAC name of N,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline (CID 158121495) is N,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline.
What is the SMILES notation for N,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline?
The canonical SMILES for N,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline is c1ccc(-c2ccc3c(c2)-c2cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc2C3)cc1.
What is the InChIKey of N,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline?
The InChIKey is RRLVKBCDDBFOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27N/c1-4-10-27(11-5-1)29-16-18-31-24-32-19-17-30(26-37(32)36(31)25-29)28-20-22-35(23-21-28)38(33-12-6-2-7-13-33)34-14-8-3-9-15-34/h1-23,25-26H,24H2.
What are the key properties of N,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline?
N,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline has a molecular weight of 485.63 g/mol, XLogP of 10.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline is sourced from PubChem (CID 158121495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).