9-methyl-9-(4-methylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine

C45H35N — CID 90029841

IUPAC9-methyl-9-(4-methylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
SMILESCc1ccc(C2(C)c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccccc4-c4ccccc4)cc32)cc1
InChIInChI=1S/C45H35N/c1-32-21-25-36(26-22-32)45(2)42-19-11-9-18-40(42)41-30-29-38(31-43(41)45)46(37-27-23-34(24-28-37)33-13-5-3-6-14-33)44-20-12-10-17-39(44)35-15-7-4-8-16-35/h3-31H,1-2H3
InChIKeyMGARZROWEQXNLU-UHFFFAOYSA-N
MW589.78 g/mol
LogP12.13
Rot. Bonds6

About 9-methyl-9-(4-methylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine

9-methyl-9-(4-methylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 90029841) has the molecular formula C45H35N and a molecular weight of 589.78 g/mol. Its IUPAC name is 9-methyl-9-(4-methylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9-methyl-9-(4-methylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID90029841
Molecular FormulaC45H35N
Molecular Weight589.78 g/mol
Exact Mass589.28
IUPAC Name9-methyl-9-(4-methylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
SMILESCc1ccc(C2(C)c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccccc4-c4ccccc4)cc32)cc1
InChIInChI=1S/C45H35N/c1-32-21-25-36(26-22-32)45(2)42-19-11-9-18-40(42)41-30-29-38(31-43(41)45)46(37-27-23-34(24-28-37)33-13-5-3-6-14-33)44-20-12-10-17-39(44)35-15-7-4-8-16-35/h3-31H,1-2H3
InChIKeyMGARZROWEQXNLU-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

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170215500
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 170215498
9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 171453321
2-[4-(9-methylfluoren-9-yl)phenyl]-N,N-diphenylaniline
CID 169293087
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218423
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
9-methyl-9-(4-methylphenyl)-N,N-bis(4-phenylphenyl)fluoren-1-amine
CID 90277826
9-(4-tert-butylphenyl)-9-methyl-N-(2-phenylphenyl)-N-[4-(3,4,5-tritert-butylphenyl)phenyl]fluoren-2-amine
CID 166020894
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 171453157
N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 118298195
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170217614
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170135534

Frequently Asked Questions

What is the IUPAC name of 9-methyl-9-(4-methylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9-methyl-9-(4-methylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine (CID 90029841) is 9-methyl-9-(4-methylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9-methyl-9-(4-methylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9-methyl-9-(4-methylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine is Cc1ccc(C2(C)c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccccc4-c4ccccc4)cc32)cc1.
What is the InChIKey of 9-methyl-9-(4-methylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is MGARZROWEQXNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H35N/c1-32-21-25-36(26-22-32)45(2)42-19-11-9-18-40(42)41-30-29-38(31-43(41)45)46(37-27-23-34(24-28-37)33-13-5-3-6-14-33)44-20-12-10-17-39(44)35-15-7-4-8-16-35/h3-31H,1-2H3.
What are the key properties of 9-methyl-9-(4-methylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine?
9-methyl-9-(4-methylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-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-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 90029841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).