9-[3-carbazol-9-yl-5-[4-(2-ethyl-3,3-dimethylpentyl)phenyl]phenyl]carbazole

C45H42N2 — CID 148851607

IUPAC9-[3-carbazol-9-yl-5-[4-(2-ethyl-3,3-dimethylpentyl)phenyl]phenyl]carbazole
SMILESCCC(Cc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1)C(C)(C)CC
InChIInChI=1S/C45H42N2/c1-5-34(45(3,4)6-2)27-31-23-25-32(26-24-31)33-28-35(46-41-19-11-7-15-37(41)38-16-8-12-20-42(38)46)30-36(29-33)47-43-21-13-9-17-39(43)40-18-10-14-22-44(40)47/h7-26,28-30,34H,5-6,27H2,1-4H3
InChIKeyOXOHIYRJEITFLF-UHFFFAOYSA-N
MW610.85 g/mol
LogP12.55
Rot. Bonds8

About 9-[3-carbazol-9-yl-5-[4-(2-ethyl-3,3-dimethylpentyl)phenyl]phenyl]carbazole

9-[3-carbazol-9-yl-5-[4-(2-ethyl-3,3-dimethylpentyl)phenyl]phenyl]carbazole (PubChem CID 148851607) has the molecular formula C45H42N2 and a molecular weight of 610.85 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[4-(2-ethyl-3,3-dimethylpentyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-5-[4-(2-ethyl-3,3-dimethylpentyl)phenyl]phenyl]carbazole
PubChem CID148851607
Molecular FormulaC45H42N2
Molecular Weight610.85 g/mol
Exact Mass610.33
IUPAC Name9-[3-carbazol-9-yl-5-[4-(2-ethyl-3,3-dimethylpentyl)phenyl]phenyl]carbazole
SMILESCCC(Cc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1)C(C)(C)CC
InChIInChI=1S/C45H42N2/c1-5-34(45(3,4)6-2)27-31-23-25-32(26-24-31)33-28-35(46-41-19-11-7-15-37(41)38-16-8-12-20-42(38)46)30-36(29-33)47-43-21-13-9-17-39(43)40-18-10-14-22-44(40)47/h7-26,28-30,34H,5-6,27H2,1-4H3
InChIKeyOXOHIYRJEITFLF-UHFFFAOYSA-N
XLogP12.55
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.85
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[3-carbazol-9-yl-5-[4-(2-methoxy-4-methylpentyl)phenyl]phenyl]carbazole
CID 163914779
9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225
9-[3-[3,5-bis[3,5-di(carbazol-9-yl)phenyl]phenyl]-5-carbazol-9-ylphenyl]carbazole
CID 102341656
9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-[4-(2-tert-butyl-4-methylpentyl)phenyl]phenyl]carbazole
CID 163545427
9-[3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)phenyl]carbazole
CID 58769488
9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole
CID 165005814
9-[3-(4-bromophenyl)-5-carbazol-9-ylphenyl]carbazole
CID 59413518
9-(3,5-diphenylphenyl)carbazole
CID 86068368
9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole
CID 59399106
9-[3-(2-tert-butyl-3-phenylindol-1-yl)-5-phenylphenyl]carbazole
CID 144848681
5-[3-(2-tert-butyl-4,4-dimethylpentyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
CID 163906260
9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole
CID 161148569

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-[4-(2-ethyl-3,3-dimethylpentyl)phenyl]phenyl]carbazole?
The IUPAC name of 9-[3-carbazol-9-yl-5-[4-(2-ethyl-3,3-dimethylpentyl)phenyl]phenyl]carbazole (CID 148851607) is 9-[3-carbazol-9-yl-5-[4-(2-ethyl-3,3-dimethylpentyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-carbazol-9-yl-5-[4-(2-ethyl-3,3-dimethylpentyl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-[3-carbazol-9-yl-5-[4-(2-ethyl-3,3-dimethylpentyl)phenyl]phenyl]carbazole is CCC(Cc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1)C(C)(C)CC.
What is the InChIKey of 9-[3-carbazol-9-yl-5-[4-(2-ethyl-3,3-dimethylpentyl)phenyl]phenyl]carbazole?
The InChIKey is OXOHIYRJEITFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H42N2/c1-5-34(45(3,4)6-2)27-31-23-25-32(26-24-31)33-28-35(46-41-19-11-7-15-37(41)38-16-8-12-20-42(38)46)30-36(29-33)47-43-21-13-9-17-39(43)40-18-10-14-22-44(40)47/h7-26,28-30,34H,5-6,27H2,1-4H3.
What are the key properties of 9-[3-carbazol-9-yl-5-[4-(2-ethyl-3,3-dimethylpentyl)phenyl]phenyl]carbazole?
9-[3-carbazol-9-yl-5-[4-(2-ethyl-3,3-dimethylpentyl)phenyl]phenyl]carbazole has a molecular weight of 610.85 g/mol, XLogP of 12.55, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-5-[4-(2-ethyl-3,3-dimethylpentyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 148851607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).