ethane;N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-phenyl-9H-fluoren-1-amine

C54H78N2 — CID 159210073

IUPACethane;N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-phenyl-9H-fluoren-1-amine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CN(c1ccccc1)c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3Cc3ccccc3-4)cc2)cc1
InChIInChI=1S/C38H30N2.8C2H6/c1-39(31-12-4-2-5-13-31)32-23-19-28(20-24-32)29-21-25-34(26-22-29)40(33-14-6-3-7-15-33)38-18-10-17-36-35-16-9-8-11-30(35)27-37(36)38;8*1-2/h2-26H,27H2,1H3;8*1-2H3
InChIKeyKQJQJFHWCGWEKG-UHFFFAOYSA-N
MW755.23 g/mol
LogP18.37
Rot. Bonds6

About ethane;N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-phenyl-9H-fluoren-1-amine

ethane;N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-phenyl-9H-fluoren-1-amine (PubChem CID 159210073) has the molecular formula C54H78N2 and a molecular weight of 755.23 g/mol. Its IUPAC name is ethane;N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-phenyl-9H-fluoren-1-amine.

Molecular Properties

Compound Nameethane;N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-phenyl-9H-fluoren-1-amine
PubChem CID159210073
Molecular FormulaC54H78N2
Molecular Weight755.23 g/mol
Exact Mass754.62
IUPAC Nameethane;N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-phenyl-9H-fluoren-1-amine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CN(c1ccccc1)c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3Cc3ccccc3-4)cc2)cc1
InChIInChI=1S/C38H30N2.8C2H6/c1-39(31-12-4-2-5-13-31)32-23-19-28(20-24-32)29-21-25-34(26-22-29)40(33-14-6-3-7-15-33)38-18-10-17-36-35-16-9-8-11-30(35)27-37(36)38;8*1-2/h2-26H,27H2,1H3;8*1-2H3
InChIKeyKQJQJFHWCGWEKG-UHFFFAOYSA-N
XLogP18.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.23
LogP ≤ 518.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9H-fluoren-1-yl)phenyl]-4-[4-(N-[4-(9H-fluoren-1-yl)phenyl]anilino)phenyl]-N-phenylaniline
CID 157272103
N-(9H-fluoren-1-yl)-N-(4-phenylphenyl)chrysen-1-amine
CID 174308486
1-N-[3-(9H-fluoren-3-yl)phenyl]-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine
CID 121465238
1-N,6-N-bis(9H-fluoren-1-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 166866292
N-naphthalen-1-yl-N-[4-[1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-2-yl]phenyl]-9H-fluoren-1-amine
CID 166008466
11-(N-(4-phenylphenyl)anilino)-12,14-dihydro-7H-pentacen-5-one
CID 164850110
4-(9H-fluoren-1-yl)-3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 134320795
N-[4-[6-[4-(9H-fluoren-1-yl)phenyl]pyren-1-yl]phenyl]-N-methyl-2-phenylaniline
CID 143424170
N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 59431752
4-(9H-fluoren-2-yl)-N-[4-(9H-fluoren-3-yl)phenyl]-N-methylaniline
CID 121465169
N-phenyl-N-[1-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]-9H-fluoren-1-amine;N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]naphthalen-1-amine;N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-amine
CID 167596177
7-(9H-fluoren-1-yl)-N-[7-(9H-fluoren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 145298640

Frequently Asked Questions

What is the IUPAC name of ethane;N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-phenyl-9H-fluoren-1-amine?
The IUPAC name of ethane;N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-phenyl-9H-fluoren-1-amine (CID 159210073) is ethane;N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-phenyl-9H-fluoren-1-amine.
What is the SMILES notation for ethane;N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-phenyl-9H-fluoren-1-amine?
The canonical SMILES for ethane;N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-phenyl-9H-fluoren-1-amine is CC.CC.CC.CC.CC.CC.CC.CC.CN(c1ccccc1)c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3Cc3ccccc3-4)cc2)cc1.
What is the InChIKey of ethane;N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-phenyl-9H-fluoren-1-amine?
The InChIKey is KQJQJFHWCGWEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N2.8C2H6/c1-39(31-12-4-2-5-13-31)32-23-19-28(20-24-32)29-21-25-34(26-22-29)40(33-14-6-3-7-15-33)38-18-10-17-36-35-16-9-8-11-30(35)27-37(36)38;8*1-2/h2-26H,27H2,1H3;8*1-2H3.
What are the key properties of ethane;N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-phenyl-9H-fluoren-1-amine?
ethane;N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-phenyl-9H-fluoren-1-amine has a molecular weight of 755.23 g/mol, XLogP of 18.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-phenyl-9H-fluoren-1-amine is sourced from PubChem (CID 159210073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).