N-(3-chloro-5-phenylphenyl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine

C42H34ClN — CID 167133358

IUPACN-(3-chloro-5-phenylphenyl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3cc(Cl)cc(-c4ccccc4)c3)c3ccc4c(c3)-c3ccccc3C4(C)C)ccc21
InChIInChI=1S/C42H34ClN/c1-41(2)37-16-10-8-14-33(37)35-25-30(18-20-39(35)41)44(32-23-28(22-29(43)24-32)27-12-6-5-7-13-27)31-19-21-40-36(26-31)34-15-9-11-17-38(34)42(40,3)4/h5-26H,1-4H3
InChIKeyCHIBRPHNJRCIMN-UHFFFAOYSA-N
MW588.19 g/mol
LogP12.09
Rot. Bonds4

About N-(3-chloro-5-phenylphenyl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine

N-(3-chloro-5-phenylphenyl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine (PubChem CID 167133358) has the molecular formula C42H34ClN and a molecular weight of 588.19 g/mol. Its IUPAC name is N-(3-chloro-5-phenylphenyl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine.

Molecular Properties

Compound NameN-(3-chloro-5-phenylphenyl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine
PubChem CID167133358
Molecular FormulaC42H34ClN
Molecular Weight588.19 g/mol
Exact Mass587.24
IUPAC NameN-(3-chloro-5-phenylphenyl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3cc(Cl)cc(-c4ccccc4)c3)c3ccc4c(c3)-c3ccccc3C4(C)C)ccc21
InChIInChI=1S/C42H34ClN/c1-41(2)37-16-10-8-14-33(37)35-25-30(18-20-39(35)41)44(32-23-28(22-29(43)24-32)27-12-6-5-7-13-27)31-19-21-40-36(26-31)34-15-9-11-17-38(34)42(40,3)4/h5-26H,1-4H3
InChIKeyCHIBRPHNJRCIMN-UHFFFAOYSA-N
XLogP12.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.19
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(3-chloro-5-phenylphenyl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine with MolForge

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Related Compounds

9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 121285785
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-9,9-dimethyl-5-phenylfluoren-3-amine
CID 169039643
N-(3,5-diphenylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-3-amine
CID 171453475
9,9-dimethyl-N,N-diphenylfluoren-3-amine
CID 126704960
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 158242505
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-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine
CID 168790837
1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-[4-(2,6-diphenylphenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 177286731
9,9-dimethyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)fluoren-3-amine
CID 71249366
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-3-amine
CID 169039545
N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 176605475
N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 154972869

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-phenylphenyl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine?
The IUPAC name of N-(3-chloro-5-phenylphenyl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine (CID 167133358) is N-(3-chloro-5-phenylphenyl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine.
What is the SMILES notation for N-(3-chloro-5-phenylphenyl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine?
The canonical SMILES for N-(3-chloro-5-phenylphenyl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3cc(Cl)cc(-c4ccccc4)c3)c3ccc4c(c3)-c3ccccc3C4(C)C)ccc21.
What is the InChIKey of N-(3-chloro-5-phenylphenyl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine?
The InChIKey is CHIBRPHNJRCIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34ClN/c1-41(2)37-16-10-8-14-33(37)35-25-30(18-20-39(35)41)44(32-23-28(22-29(43)24-32)27-12-6-5-7-13-27)31-19-21-40-36(26-31)34-15-9-11-17-38(34)42(40,3)4/h5-26H,1-4H3.
What are the key properties of N-(3-chloro-5-phenylphenyl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine?
N-(3-chloro-5-phenylphenyl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine has a molecular weight of 588.19 g/mol, XLogP of 12.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-phenylphenyl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine is sourced from PubChem (CID 167133358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).