N-(4-methylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine

C50H37N — CID 123459868

IUPACN-(4-methylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
SMILESCc1ccc(N(c2ccc(-c3cccc(-c4ccccc4)c3)cc2)c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C50H37N/c1-36-27-31-43(32-28-36)51(44-33-29-38(30-34-44)40-18-13-17-39(35-40)37-15-5-2-6-16-37)48-26-14-25-47-49(48)45-23-11-12-24-46(45)50(47,41-19-7-3-8-20-41)42-21-9-4-10-22-42/h2-35H,1H3
InChIKeyCRFWEBOLFZTVMP-UHFFFAOYSA-N
MW651.85 g/mol
LogP13.16
Rot. Bonds7

About N-(4-methylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine

N-(4-methylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine (PubChem CID 123459868) has the molecular formula C50H37N and a molecular weight of 651.85 g/mol. Its IUPAC name is N-(4-methylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
PubChem CID123459868
Molecular FormulaC50H37N
Molecular Weight651.85 g/mol
Exact Mass651.29
IUPAC NameN-(4-methylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
SMILESCc1ccc(N(c2ccc(-c3cccc(-c4ccccc4)c3)cc2)c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C50H37N/c1-36-27-31-43(32-28-36)51(44-33-29-38(30-34-44)40-18-13-17-39(35-40)37-15-5-2-6-16-37)48-26-14-25-47-49(48)45-23-11-12-24-46(45)50(47,41-19-7-3-8-20-41)42-21-9-4-10-22-42/h2-35H,1H3
InChIKeyCRFWEBOLFZTVMP-UHFFFAOYSA-N
XLogP13.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.85
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-methylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121285757
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 121464380
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine
CID 161111412
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 126548483
N-(2,6-dimethyl-4-phenylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 118193667
4-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667094
9,9-diphenyl-N-(4-phenylphenyl)-N-[7-(4-phenylphenyl)naphthalen-2-yl]fluoren-4-amine
CID 166497792
9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-1-amine;N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 167649293
4'-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 171799079
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 121464379
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-4-amine
CID 118146121
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193177

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine?
The IUPAC name of N-(4-methylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine (CID 123459868) is N-(4-methylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine.
What is the SMILES notation for N-(4-methylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine?
The canonical SMILES for N-(4-methylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine is Cc1ccc(N(c2ccc(-c3cccc(-c4ccccc4)c3)cc2)c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine?
The InChIKey is CRFWEBOLFZTVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37N/c1-36-27-31-43(32-28-36)51(44-33-29-38(30-34-44)40-18-13-17-39(35-40)37-15-5-2-6-16-37)48-26-14-25-47-49(48)45-23-11-12-24-46(45)50(47,41-19-7-3-8-20-41)42-21-9-4-10-22-42/h2-35H,1H3.
What are the key properties of N-(4-methylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine?
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine has a molecular weight of 651.85 g/mol, XLogP of 13.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine is sourced from PubChem (CID 123459868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).