9-methyl-9-(4-methylphenyl)-N,N-bis(4-phenylphenyl)fluoren-1-amine

C45H35N — CID 90277826

IUPAC9-methyl-9-(4-methylphenyl)-N,N-bis(4-phenylphenyl)fluoren-1-amine
SMILESCc1ccc(C2(C)c3ccccc3-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c32)cc1
InChIInChI=1S/C45H35N/c1-32-20-26-37(27-21-32)45(2)42-18-10-9-16-40(42)41-17-11-19-43(44(41)45)46(38-28-22-35(23-29-38)33-12-5-3-6-13-33)39-30-24-36(25-31-39)34-14-7-4-8-15-34/h3-31H,1-2H3
InChIKeyORVIFOWNQPRHEP-UHFFFAOYSA-N
MW589.78 g/mol
LogP12.13
Rot. Bonds6

About 9-methyl-9-(4-methylphenyl)-N,N-bis(4-phenylphenyl)fluoren-1-amine

9-methyl-9-(4-methylphenyl)-N,N-bis(4-phenylphenyl)fluoren-1-amine (PubChem CID 90277826) has the molecular formula C45H35N and a molecular weight of 589.78 g/mol. Its IUPAC name is 9-methyl-9-(4-methylphenyl)-N,N-bis(4-phenylphenyl)fluoren-1-amine.

Molecular Properties

Compound Name9-methyl-9-(4-methylphenyl)-N,N-bis(4-phenylphenyl)fluoren-1-amine
PubChem CID90277826
Molecular FormulaC45H35N
Molecular Weight589.78 g/mol
Exact Mass589.28
IUPAC Name9-methyl-9-(4-methylphenyl)-N,N-bis(4-phenylphenyl)fluoren-1-amine
SMILESCc1ccc(C2(C)c3ccccc3-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c32)cc1
InChIInChI=1S/C45H35N/c1-32-20-26-37(27-21-32)45(2)42-18-10-9-16-40(42)41-17-11-19-43(44(41)45)46(38-28-22-35(23-29-38)33-12-5-3-6-13-33)39-30-24-36(25-31-39)34-14-7-4-8-15-34/h3-31H,1-2H3
InChIKeyORVIFOWNQPRHEP-UHFFFAOYSA-N
XLogP12.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.78
LogP ≤ 512.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-methyl-9-(4-methylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 90029841
1-N,3-N-bis(9-methyl-9-phenylfluoren-1-yl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-3-yl)benzene-1,3-diamine
CID 121361349
N-(9-methyl-9-phenylfluoren-1-yl)-9,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 169062154
9-methyl-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-1-amine;9-methyl-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-[4-(9-methyl-9-phenylfluoren-1-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline;9-methyl-9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9-methyl-9-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-1-amine;9-(4-methylphenyl)-9-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-3-amine
CID 161217657
2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 146541622
2-[4-(9-methylfluoren-9-yl)phenyl]-N,N-diphenylaniline
CID 169293087
N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 154409809
N-(9-methyl-9-phenylfluoren-1-yl)-N,9,10-triphenylphenanthren-2-amine
CID 169061763
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9-phenylfluoren-1-amine
CID 169063994
9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-1-amine
CID 90277808
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218423
N-(4-methylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121285757

Frequently Asked Questions

What is the IUPAC name of 9-methyl-9-(4-methylphenyl)-N,N-bis(4-phenylphenyl)fluoren-1-amine?
The IUPAC name of 9-methyl-9-(4-methylphenyl)-N,N-bis(4-phenylphenyl)fluoren-1-amine (CID 90277826) is 9-methyl-9-(4-methylphenyl)-N,N-bis(4-phenylphenyl)fluoren-1-amine.
What is the SMILES notation for 9-methyl-9-(4-methylphenyl)-N,N-bis(4-phenylphenyl)fluoren-1-amine?
The canonical SMILES for 9-methyl-9-(4-methylphenyl)-N,N-bis(4-phenylphenyl)fluoren-1-amine is Cc1ccc(C2(C)c3ccccc3-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c32)cc1.
What is the InChIKey of 9-methyl-9-(4-methylphenyl)-N,N-bis(4-phenylphenyl)fluoren-1-amine?
The InChIKey is ORVIFOWNQPRHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H35N/c1-32-20-26-37(27-21-32)45(2)42-18-10-9-16-40(42)41-17-11-19-43(44(41)45)46(38-28-22-35(23-29-38)33-12-5-3-6-13-33)39-30-24-36(25-31-39)34-14-7-4-8-15-34/h3-31H,1-2H3.
What are the key properties of 9-methyl-9-(4-methylphenyl)-N,N-bis(4-phenylphenyl)fluoren-1-amine?
9-methyl-9-(4-methylphenyl)-N,N-bis(4-phenylphenyl)fluoren-1-amine has a molecular weight of 589.78 g/mol, XLogP of 12.13, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-9-(4-methylphenyl)-N,N-bis(4-phenylphenyl)fluoren-1-amine is sourced from PubChem (CID 90277826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).