1-N-[3-(9H-fluoren-3-yl)phenyl]-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine

C38H30N2 — CID 121465238

IUPAC1-N-[3-(9H-fluoren-3-yl)phenyl]-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine
SMILESCN(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1cccc(-c2ccc3c(c2)-c2ccccc2C3)c1
InChIInChI=1S/C38H30N2/c1-39(32-21-23-35(24-22-32)40(33-13-4-2-5-14-33)34-15-6-3-7-16-34)36-17-10-12-28(26-36)29-19-20-31-25-30-11-8-9-18-37(30)38(31)27-29/h2-24,26-27H,25H2,1H3
InChIKeyRCMLSHONCMBOAZ-UHFFFAOYSA-N
MW514.67 g/mol
LogP10.16
Rot. Bonds6

About 1-N-[3-(9H-fluoren-3-yl)phenyl]-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine

1-N-[3-(9H-fluoren-3-yl)phenyl]-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine (PubChem CID 121465238) has the molecular formula C38H30N2 and a molecular weight of 514.67 g/mol. Its IUPAC name is 1-N-[3-(9H-fluoren-3-yl)phenyl]-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[3-(9H-fluoren-3-yl)phenyl]-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine
PubChem CID121465238
Molecular FormulaC38H30N2
Molecular Weight514.67 g/mol
Exact Mass514.24
IUPAC Name1-N-[3-(9H-fluoren-3-yl)phenyl]-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine
SMILESCN(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1cccc(-c2ccc3c(c2)-c2ccccc2C3)c1
InChIInChI=1S/C38H30N2/c1-39(32-21-23-35(24-22-32)40(33-13-4-2-5-14-33)34-15-6-3-7-16-34)36-17-10-12-28(26-36)29-19-20-31-25-30-11-8-9-18-37(30)38(31)27-29/h2-24,26-27H,25H2,1H3
InChIKeyRCMLSHONCMBOAZ-UHFFFAOYSA-N
XLogP10.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.67
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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
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
4-(9H-fluoren-2-yl)-N-[4-(9H-fluoren-3-yl)phenyl]-N-methylaniline
CID 121465169
N,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline
CID 158121495
N-[4-[2-methoxy-5-[4-(N-methylanilino)-3-phenylphenyl]phenyl]phenyl]-N-(4-phenylphenyl)pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-16-amine
CID 145318490
4-N-[4-[4-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methylanilino]phenyl]phenyl]-1-N-[4-(4-methylphenyl)phenyl]-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 58250924
4-(6-methyl-9H-fluoren-3-yl)-N,N-diphenylaniline
CID 157107572
N-methyl-N-phenyl-3-(3-phenylphenyl)aniline;N-methyl-N-phenyl-3-(4-phenylphenyl)aniline;N-methyl-N-phenyl-4-(2-phenylphenyl)aniline;N-methyl-N-phenyl-4-(3-phenylphenyl)aniline
CID 158130832
N,N-diphenyl-9H-fluoren-2-amine
CID 20734444
ethane;N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-phenyl-9H-fluoren-1-amine
CID 159210073

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(9H-fluoren-3-yl)phenyl]-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine?
The IUPAC name of 1-N-[3-(9H-fluoren-3-yl)phenyl]-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine (CID 121465238) is 1-N-[3-(9H-fluoren-3-yl)phenyl]-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[3-(9H-fluoren-3-yl)phenyl]-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[3-(9H-fluoren-3-yl)phenyl]-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine is CN(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1cccc(-c2ccc3c(c2)-c2ccccc2C3)c1.
What is the InChIKey of 1-N-[3-(9H-fluoren-3-yl)phenyl]-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine?
The InChIKey is RCMLSHONCMBOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N2/c1-39(32-21-23-35(24-22-32)40(33-13-4-2-5-14-33)34-15-6-3-7-16-34)36-17-10-12-28(26-36)29-19-20-31-25-30-11-8-9-18-37(30)38(31)27-29/h2-24,26-27H,25H2,1H3.
What are the key properties of 1-N-[3-(9H-fluoren-3-yl)phenyl]-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine?
1-N-[3-(9H-fluoren-3-yl)phenyl]-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine has a molecular weight of 514.67 g/mol, XLogP of 10.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(9H-fluoren-3-yl)phenyl]-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine is sourced from PubChem (CID 121465238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).