9-methyl-9-(4-methylphenyl)-N-[4-phenyl-3-(2-phenylphenyl)phenyl]fluoren-2-amine

C45H35N — CID 118161058

IUPAC9-methyl-9-(4-methylphenyl)-N-[4-phenyl-3-(2-phenylphenyl)phenyl]fluoren-2-amine
SMILESCc1ccc(C2(C)c3ccccc3-c3ccc(Nc4ccc(-c5ccccc5)c(-c5ccccc5-c5ccccc5)c4)cc32)cc1
InChIInChI=1S/C45H35N/c1-31-21-23-34(24-22-31)45(2)43-20-12-11-19-40(43)41-28-26-36(30-44(41)45)46-35-25-27-38(33-15-7-4-8-16-33)42(29-35)39-18-10-9-17-37(39)32-13-5-3-6-14-32/h3-30,46H,1-2H3
InChIKeyOXIISRPJSMTYAY-UHFFFAOYSA-N
MW589.78 g/mol
LogP12.07
Rot. Bonds6

About 9-methyl-9-(4-methylphenyl)-N-[4-phenyl-3-(2-phenylphenyl)phenyl]fluoren-2-amine

9-methyl-9-(4-methylphenyl)-N-[4-phenyl-3-(2-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 118161058) has the molecular formula C45H35N and a molecular weight of 589.78 g/mol. Its IUPAC name is 9-methyl-9-(4-methylphenyl)-N-[4-phenyl-3-(2-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9-methyl-9-(4-methylphenyl)-N-[4-phenyl-3-(2-phenylphenyl)phenyl]fluoren-2-amine
PubChem CID118161058
Molecular FormulaC45H35N
Molecular Weight589.78 g/mol
Exact Mass589.28
IUPAC Name9-methyl-9-(4-methylphenyl)-N-[4-phenyl-3-(2-phenylphenyl)phenyl]fluoren-2-amine
SMILESCc1ccc(C2(C)c3ccccc3-c3ccc(Nc4ccc(-c5ccccc5)c(-c5ccccc5-c5ccccc5)c4)cc32)cc1
InChIInChI=1S/C45H35N/c1-31-21-23-34(24-22-31)45(2)43-20-12-11-19-40(43)41-28-26-36(30-44(41)45)46-35-25-27-38(33-15-7-4-8-16-33)42(29-35)39-18-10-9-17-37(39)32-13-5-3-6-14-32/h3-30,46H,1-2H3
InChIKeyOXIISRPJSMTYAY-UHFFFAOYSA-N
XLogP12.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.78
LogP ≤ 512.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-4-phenylaniline
CID 165158441
9,9-dimethyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 134528915
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160556555
9-methyl-9-(4-methylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 90029841
9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 59357506
N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-amine
CID 130271446
N-(4-phenylphenyl)-9,9-bis(trideuteriomethyl)fluoren-2-amine
CID 155619972
4-methyl-1-phenyl-2-(2-phenylphenyl)benzene
CID 59171641
9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 171453321
9,9-dimethyl-7-(1-methylcyclopropyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 144671031
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
CID 121423904
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-9-phenyl-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218419

Frequently Asked Questions

What is the IUPAC name of 9-methyl-9-(4-methylphenyl)-N-[4-phenyl-3-(2-phenylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of 9-methyl-9-(4-methylphenyl)-N-[4-phenyl-3-(2-phenylphenyl)phenyl]fluoren-2-amine (CID 118161058) is 9-methyl-9-(4-methylphenyl)-N-[4-phenyl-3-(2-phenylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9-methyl-9-(4-methylphenyl)-N-[4-phenyl-3-(2-phenylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for 9-methyl-9-(4-methylphenyl)-N-[4-phenyl-3-(2-phenylphenyl)phenyl]fluoren-2-amine is Cc1ccc(C2(C)c3ccccc3-c3ccc(Nc4ccc(-c5ccccc5)c(-c5ccccc5-c5ccccc5)c4)cc32)cc1.
What is the InChIKey of 9-methyl-9-(4-methylphenyl)-N-[4-phenyl-3-(2-phenylphenyl)phenyl]fluoren-2-amine?
The InChIKey is OXIISRPJSMTYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H35N/c1-31-21-23-34(24-22-31)45(2)43-20-12-11-19-40(43)41-28-26-36(30-44(41)45)46-35-25-27-38(33-15-7-4-8-16-33)42(29-35)39-18-10-9-17-37(39)32-13-5-3-6-14-32/h3-30,46H,1-2H3.
What are the key properties of 9-methyl-9-(4-methylphenyl)-N-[4-phenyl-3-(2-phenylphenyl)phenyl]fluoren-2-amine?
9-methyl-9-(4-methylphenyl)-N-[4-phenyl-3-(2-phenylphenyl)phenyl]fluoren-2-amine has a molecular weight of 589.78 g/mol, XLogP of 12.07, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-9-(4-methylphenyl)-N-[4-phenyl-3-(2-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 118161058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).