1-[4-[[4-(9H-carbazol-1-yl)phenyl]-diphenylmethyl]phenyl]-9H-carbazole

C49H34N2 — CID 141146048

IUPAC1-[4-[[4-(9H-carbazol-1-yl)phenyl]-diphenylmethyl]phenyl]-9H-carbazole
SMILESc1ccc(C(c2ccccc2)(c2ccc(-c3cccc4c3[nH]c3ccccc34)cc2)c2ccc(-c3cccc4c3[nH]c3ccccc34)cc2)cc1
InChIInChI=1S/C49H34N2/c1-3-13-35(14-4-1)49(36-15-5-2-6-16-36,37-29-25-33(26-30-37)39-19-11-21-43-41-17-7-9-23-45(41)50-47(39)43)38-31-27-34(28-32-38)40-20-12-22-44-42-18-8-10-24-46(42)51-48(40)44/h1-32,50-51H
InChIKeyXDNPCLOKYLUDAB-UHFFFAOYSA-N
MW650.83 g/mol
LogP12.67
Rot. Bonds6

About 1-[4-[[4-(9H-carbazol-1-yl)phenyl]-diphenylmethyl]phenyl]-9H-carbazole

1-[4-[[4-(9H-carbazol-1-yl)phenyl]-diphenylmethyl]phenyl]-9H-carbazole (PubChem CID 141146048) has the molecular formula C49H34N2 and a molecular weight of 650.83 g/mol. Its IUPAC name is 1-[4-[[4-(9H-carbazol-1-yl)phenyl]-diphenylmethyl]phenyl]-9H-carbazole.

Molecular Properties

Compound Name1-[4-[[4-(9H-carbazol-1-yl)phenyl]-diphenylmethyl]phenyl]-9H-carbazole
PubChem CID141146048
Molecular FormulaC49H34N2
Molecular Weight650.83 g/mol
Exact Mass650.27
IUPAC Name1-[4-[[4-(9H-carbazol-1-yl)phenyl]-diphenylmethyl]phenyl]-9H-carbazole
SMILESc1ccc(C(c2ccccc2)(c2ccc(-c3cccc4c3[nH]c3ccccc34)cc2)c2ccc(-c3cccc4c3[nH]c3ccccc34)cc2)cc1
InChIInChI=1S/C49H34N2/c1-3-13-35(14-4-1)49(36-15-5-2-6-16-36,37-29-25-33(26-30-37)39-19-11-21-43-41-17-7-9-23-45(41)50-47(39)43)38-31-27-34(28-32-38)40-20-12-22-44-42-18-8-10-24-46(42)51-48(40)44/h1-32,50-51H
InChIKeyXDNPCLOKYLUDAB-UHFFFAOYSA-N
XLogP12.67
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.83
LogP ≤ 512.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-[4-[4-[4-[4-(9H-carbazol-1-yl)phenyl]phenyl]phenyl]phenyl]-9H-carbazole
CID 175958773
1-[4-[1-[4-(9H-carbazol-1-yl)phenyl]-2,2-diphenylethenyl]phenyl]-9H-carbazole
CID 155666000
1-(3,4-diphenylphenyl)-9H-carbazole
CID 141489388
[4-(9H-carbazol-1-yl)phenyl]-triphenylsilane
CID 141080008
1-[4-(2-bromophenyl)phenyl]-9H-carbazole
CID 175063939
bis[4-(9H-carbazol-1-yl)phenyl]diazene
CID 140514298
diphenylphosphane;1-phenyl-9H-carbazole
CID 158040187
1-[2-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 66618059
1-(3-bromo-4-phenylphenyl)-9H-carbazole
CID 175063940
1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole
CID 155673306
1-(4-prop-1-enylphenyl)-9H-carbazole
CID 175584569
1-[4-[4-(9H-carbazol-1-yl)-2-methylphenyl]-3-methylphenyl]-9H-carbazole
CID 159544666

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(9H-carbazol-1-yl)phenyl]-diphenylmethyl]phenyl]-9H-carbazole?
The IUPAC name of 1-[4-[[4-(9H-carbazol-1-yl)phenyl]-diphenylmethyl]phenyl]-9H-carbazole (CID 141146048) is 1-[4-[[4-(9H-carbazol-1-yl)phenyl]-diphenylmethyl]phenyl]-9H-carbazole.
What is the SMILES notation for 1-[4-[[4-(9H-carbazol-1-yl)phenyl]-diphenylmethyl]phenyl]-9H-carbazole?
The canonical SMILES for 1-[4-[[4-(9H-carbazol-1-yl)phenyl]-diphenylmethyl]phenyl]-9H-carbazole is c1ccc(C(c2ccccc2)(c2ccc(-c3cccc4c3[nH]c3ccccc34)cc2)c2ccc(-c3cccc4c3[nH]c3ccccc34)cc2)cc1.
What is the InChIKey of 1-[4-[[4-(9H-carbazol-1-yl)phenyl]-diphenylmethyl]phenyl]-9H-carbazole?
The InChIKey is XDNPCLOKYLUDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2/c1-3-13-35(14-4-1)49(36-15-5-2-6-16-36,37-29-25-33(26-30-37)39-19-11-21-43-41-17-7-9-23-45(41)50-47(39)43)38-31-27-34(28-32-38)40-20-12-22-44-42-18-8-10-24-46(42)51-48(40)44/h1-32,50-51H.
What are the key properties of 1-[4-[[4-(9H-carbazol-1-yl)phenyl]-diphenylmethyl]phenyl]-9H-carbazole?
1-[4-[[4-(9H-carbazol-1-yl)phenyl]-diphenylmethyl]phenyl]-9H-carbazole has a molecular weight of 650.83 g/mol, XLogP of 12.67, 6 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(9H-carbazol-1-yl)phenyl]-diphenylmethyl]phenyl]-9H-carbazole is sourced from PubChem (CID 141146048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).