N-(4-chlorophenyl)-N,9,9-triphenylfluoren-2-amine

C37H26ClN — CID 139762369

IUPACN-(4-chlorophenyl)-N,9,9-triphenylfluoren-2-amine
SMILESClc1ccc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C37H26ClN/c38-29-20-22-31(23-21-29)39(30-16-8-3-9-17-30)32-24-25-34-33-18-10-11-19-35(33)37(36(34)26-32,27-12-4-1-5-13-27)28-14-6-2-7-15-28/h1-26H
InChIKeyOPQLRSACDFUJAI-UHFFFAOYSA-N
MW520.08 g/mol
LogP10.17
Rot. Bonds5

About N-(4-chlorophenyl)-N,9,9-triphenylfluoren-2-amine

N-(4-chlorophenyl)-N,9,9-triphenylfluoren-2-amine (PubChem CID 139762369) has the molecular formula C37H26ClN and a molecular weight of 520.08 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N,9,9-triphenylfluoren-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N,9,9-triphenylfluoren-2-amine
PubChem CID139762369
Molecular FormulaC37H26ClN
Molecular Weight520.08 g/mol
Exact Mass519.18
IUPAC NameN-(4-chlorophenyl)-N,9,9-triphenylfluoren-2-amine
SMILESClc1ccc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C37H26ClN/c38-29-20-22-31(23-21-29)39(30-16-8-3-9-17-30)32-24-25-34-33-18-10-11-19-35(33)37(36(34)26-32,27-12-4-1-5-13-27)28-14-6-2-7-15-28/h1-26H
InChIKeyOPQLRSACDFUJAI-UHFFFAOYSA-N
XLogP10.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.08
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 132601190
N-(3-chlorophenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90154262
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160
2-chloro-11-N',11-N',17-N',17-N'-tetraphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130263577
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
[4-(N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]boronic acid
CID 123393437
5-bromo-1-N,3-N-bis(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 88867924
6-N,16-N-bis(9,9-diphenylfluoren-2-yl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166033580
N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193981
3-N-(3-chlorophenyl)-3-N-(9,9-diphenylfluoren-1-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N-phenylbenzene-1,3-diamine
CID 146601773
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N,9,9-triphenylfluoren-2-amine?
The IUPAC name of N-(4-chlorophenyl)-N,9,9-triphenylfluoren-2-amine (CID 139762369) is N-(4-chlorophenyl)-N,9,9-triphenylfluoren-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-N,9,9-triphenylfluoren-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-N,9,9-triphenylfluoren-2-amine is Clc1ccc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N,9,9-triphenylfluoren-2-amine?
The InChIKey is OPQLRSACDFUJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26ClN/c38-29-20-22-31(23-21-29)39(30-16-8-3-9-17-30)32-24-25-34-33-18-10-11-19-35(33)37(36(34)26-32,27-12-4-1-5-13-27)28-14-6-2-7-15-28/h1-26H.
What are the key properties of N-(4-chlorophenyl)-N,9,9-triphenylfluoren-2-amine?
N-(4-chlorophenyl)-N,9,9-triphenylfluoren-2-amine has a molecular weight of 520.08 g/mol, XLogP of 10.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N,9,9-triphenylfluoren-2-amine is sourced from PubChem (CID 139762369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).