3-N-(3-chlorophenyl)-3-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,3-diamine

C46H37ClN2 — CID 146602154

IUPAC3-N-(3-chlorophenyl)-3-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,3-diamine
SMILESCc1cccc(N(c2ccccc2)c2cccc(N(c3cccc(Cl)c3)c3ccccc3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)c1
InChIInChI=1S/C46H37ClN2/c1-32-14-11-18-36(28-32)48(35-16-5-4-6-17-35)38-20-13-21-39(31-38)49(37-19-12-15-34(47)30-37)45-25-10-8-22-40(45)33-26-27-42-41-23-7-9-24-43(41)46(2,3)44(42)29-33/h4-31H,1-3H3
InChIKeyUYKGBHSVXVHHAI-UHFFFAOYSA-N
MW653.27 g/mol
LogP13.56
Rot. Bonds7

About 3-N-(3-chlorophenyl)-3-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,3-diamine

3-N-(3-chlorophenyl)-3-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,3-diamine (PubChem CID 146602154) has the molecular formula C46H37ClN2 and a molecular weight of 653.27 g/mol. Its IUPAC name is 3-N-(3-chlorophenyl)-3-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(3-chlorophenyl)-3-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,3-diamine
PubChem CID146602154
Molecular FormulaC46H37ClN2
Molecular Weight653.27 g/mol
Exact Mass652.26
IUPAC Name3-N-(3-chlorophenyl)-3-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,3-diamine
SMILESCc1cccc(N(c2ccccc2)c2cccc(N(c3cccc(Cl)c3)c3ccccc3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)c1
InChIInChI=1S/C46H37ClN2/c1-32-14-11-18-36(28-32)48(35-16-5-4-6-17-35)38-20-13-21-39(31-38)49(37-19-12-15-34(47)30-37)45-25-10-8-22-40(45)33-26-27-42-41-23-7-9-24-43(41)46(2,3)44(42)29-33/h4-31H,1-3H3
InChIKeyUYKGBHSVXVHHAI-UHFFFAOYSA-N
XLogP13.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.27
LogP ≤ 513.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 162180969
9,9-dimethyl-7-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 159012836
5-chloro-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine
CID 121361263
9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428426
N-(3-chlorophenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-1-amine
CID 155609454
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-N,2-bis(2-phenylphenyl)aniline
CID 168788977
7-(20,20-dimethyl-6-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaenyl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 166906531
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[2-[3-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218191
N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157078177
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
N-(9,9-dimethylfluoren-2-yl)-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 160701303

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-chlorophenyl)-3-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,3-diamine?
The IUPAC name of 3-N-(3-chlorophenyl)-3-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,3-diamine (CID 146602154) is 3-N-(3-chlorophenyl)-3-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(3-chlorophenyl)-3-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(3-chlorophenyl)-3-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,3-diamine is Cc1cccc(N(c2ccccc2)c2cccc(N(c3cccc(Cl)c3)c3ccccc3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)c1.
What is the InChIKey of 3-N-(3-chlorophenyl)-3-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,3-diamine?
The InChIKey is UYKGBHSVXVHHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H37ClN2/c1-32-14-11-18-36(28-32)48(35-16-5-4-6-17-35)38-20-13-21-39(31-38)49(37-19-12-15-34(47)30-37)45-25-10-8-22-40(45)33-26-27-42-41-23-7-9-24-43(41)46(2,3)44(42)29-33/h4-31H,1-3H3.
What are the key properties of 3-N-(3-chlorophenyl)-3-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,3-diamine?
3-N-(3-chlorophenyl)-3-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,3-diamine has a molecular weight of 653.27 g/mol, XLogP of 13.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-chlorophenyl)-3-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,3-diamine is sourced from PubChem (CID 146602154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).