2-chloro-N-(9,9-dimethylfluoren-2-yl)-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-4-amine

C42H40ClNO — CID 167133329

IUPAC2-chloro-N-(9,9-dimethylfluoren-2-yl)-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-4-amine
SMILESCc1cc2c(cc1N(c1ccc3c(c1)C(C)(C)c1ccccc1-3)c1cc(Cl)cc3c1oc1ccccc13)C(C)(C)CCC2(C)C
InChIInChI=1S/C42H40ClNO/c1-25-20-34-35(41(4,5)19-18-40(34,2)3)24-36(25)44(37-22-26(43)21-31-30-13-9-11-15-38(30)45-39(31)37)27-16-17-29-28-12-8-10-14-32(28)42(6,7)33(29)23-27/h8-17,20-24H,18-19H2,1-7H3
InChIKeyHRIYSPXPISYJIH-UHFFFAOYSA-N
MW610.24 g/mol
LogP12.67
Rot. Bonds3

About 2-chloro-N-(9,9-dimethylfluoren-2-yl)-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-4-amine

2-chloro-N-(9,9-dimethylfluoren-2-yl)-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-4-amine (PubChem CID 167133329) has the molecular formula C42H40ClNO and a molecular weight of 610.24 g/mol. Its IUPAC name is 2-chloro-N-(9,9-dimethylfluoren-2-yl)-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-4-amine.

Molecular Properties

Compound Name2-chloro-N-(9,9-dimethylfluoren-2-yl)-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-4-amine
PubChem CID167133329
Molecular FormulaC42H40ClNO
Molecular Weight610.24 g/mol
Exact Mass609.28
IUPAC Name2-chloro-N-(9,9-dimethylfluoren-2-yl)-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-4-amine
SMILESCc1cc2c(cc1N(c1ccc3c(c1)C(C)(C)c1ccccc1-3)c1cc(Cl)cc3c1oc1ccccc13)C(C)(C)CCC2(C)C
InChIInChI=1S/C42H40ClNO/c1-25-20-34-35(41(4,5)19-18-40(34,2)3)24-36(25)44(37-22-26(43)21-31-30-13-9-11-15-38(30)45-39(31)37)27-16-17-29-28-12-8-10-14-32(28)42(6,7)33(29)23-27/h8-17,20-24H,18-19H2,1-7H3
InChIKeyHRIYSPXPISYJIH-UHFFFAOYSA-N
XLogP12.67
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.24
LogP ≤ 512.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-(9,9-dimethylfluoren-2-yl)-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9,9-dimethyl-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N-phenylfluoren-2-amine
CID 174287822
N-(9,9-dimethylfluoren-2-yl)-N-[3-methyl-4-(2-methylphenyl)phenyl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine
CID 122504098
N-(9,9-dimethylfluoren-2-yl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139298060
5-N,5-N,9-N,9-N-tetrakis(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-5,9-diamine
CID 146523096
N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-1-amine
CID 169022361
N-(9,9-dimethylfluoren-2-yl)-N-[9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]dibenzofuran-4-amine
CID 170448052
N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170143021
2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(9,9-dimethylfluoren-2-yl)pyrene-2,7-diamine
CID 123226555
2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene-2,6-diamine
CID 89254675
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 168789334
20-N-[4-[4-[dibenzofuran-4-yl-[20-(N-dibenzofuran-4-ylanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]amino]phenyl]phenyl]-4-N,20-N-bis(9,9-dimethylfluoren-2-yl)-4-N-phenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 146526881
9,9-dimethyl-N-[4-(2-phenyldibenzofuran-4-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 140919240

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(9,9-dimethylfluoren-2-yl)-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-4-amine?
The IUPAC name of 2-chloro-N-(9,9-dimethylfluoren-2-yl)-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-4-amine (CID 167133329) is 2-chloro-N-(9,9-dimethylfluoren-2-yl)-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-4-amine.
What is the SMILES notation for 2-chloro-N-(9,9-dimethylfluoren-2-yl)-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-4-amine?
The canonical SMILES for 2-chloro-N-(9,9-dimethylfluoren-2-yl)-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-4-amine is Cc1cc2c(cc1N(c1ccc3c(c1)C(C)(C)c1ccccc1-3)c1cc(Cl)cc3c1oc1ccccc13)C(C)(C)CCC2(C)C.
What is the InChIKey of 2-chloro-N-(9,9-dimethylfluoren-2-yl)-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-4-amine?
The InChIKey is HRIYSPXPISYJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H40ClNO/c1-25-20-34-35(41(4,5)19-18-40(34,2)3)24-36(25)44(37-22-26(43)21-31-30-13-9-11-15-38(30)45-39(31)37)27-16-17-29-28-12-8-10-14-32(28)42(6,7)33(29)23-27/h8-17,20-24H,18-19H2,1-7H3.
What are the key properties of 2-chloro-N-(9,9-dimethylfluoren-2-yl)-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-4-amine?
2-chloro-N-(9,9-dimethylfluoren-2-yl)-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-4-amine has a molecular weight of 610.24 g/mol, XLogP of 12.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(9,9-dimethylfluoren-2-yl)-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-4-amine is sourced from PubChem (CID 167133329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).