5-(9-dibenzofuran-2-ylcarbazol-3-yl)-N,2-diphenylaniline

C42H28N2O — CID 118534077

IUPAC5-(9-dibenzofuran-2-ylcarbazol-3-yl)-N,2-diphenylaniline
SMILESc1ccc(Nc2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5ccccc5c4c3)ccc2-c2ccccc2)cc1
InChIInChI=1S/C42H28N2O/c1-3-11-28(12-4-1)33-22-19-30(26-38(33)43-31-13-5-2-6-14-31)29-20-23-40-36(25-29)34-15-7-9-17-39(34)44(40)32-21-24-42-37(27-32)35-16-8-10-18-41(35)45-42/h1-27,43H
InChIKeyZHCPZKSFWBCRCB-UHFFFAOYSA-N
MW576.70 g/mol
LogP11.76
Rot. Bonds5

About 5-(9-dibenzofuran-2-ylcarbazol-3-yl)-N,2-diphenylaniline

5-(9-dibenzofuran-2-ylcarbazol-3-yl)-N,2-diphenylaniline (PubChem CID 118534077) has the molecular formula C42H28N2O and a molecular weight of 576.70 g/mol. Its IUPAC name is 5-(9-dibenzofuran-2-ylcarbazol-3-yl)-N,2-diphenylaniline.

Molecular Properties

Compound Name5-(9-dibenzofuran-2-ylcarbazol-3-yl)-N,2-diphenylaniline
PubChem CID118534077
Molecular FormulaC42H28N2O
Molecular Weight576.70 g/mol
Exact Mass576.22
IUPAC Name5-(9-dibenzofuran-2-ylcarbazol-3-yl)-N,2-diphenylaniline
SMILESc1ccc(Nc2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5ccccc5c4c3)ccc2-c2ccccc2)cc1
InChIInChI=1S/C42H28N2O/c1-3-11-28(12-4-1)33-22-19-30(26-38(33)43-31-13-5-2-6-14-31)29-20-23-40-36(25-29)34-15-7-9-17-39(34)44(40)32-21-24-42-37(27-32)35-16-8-10-18-41(35)45-42/h1-27,43H
InChIKeyZHCPZKSFWBCRCB-UHFFFAOYSA-N
XLogP11.76
TPSA30.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.70
LogP ≤ 511.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-dibenzofuran-2-yl-3-[3-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 123613126
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
9-dibenzofuran-2-yl-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 123818422
3-dibenzofuran-2-yl-9-naphthalen-2-yl-N-phenylcarbazol-2-amine
CID 118546028
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-6-phenyl-9-(3-phenylphenyl)carbazole
CID 170072680
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 90350922
3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 123419299
9-dibenzofuran-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072865
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3,5-diphenylphenyl)carbazole
CID 71100014
3-phenyl-9-(7-phenyldibenzofuran-2-yl)carbazole
CID 170286211
3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924

Frequently Asked Questions

What is the IUPAC name of 5-(9-dibenzofuran-2-ylcarbazol-3-yl)-N,2-diphenylaniline?
The IUPAC name of 5-(9-dibenzofuran-2-ylcarbazol-3-yl)-N,2-diphenylaniline (CID 118534077) is 5-(9-dibenzofuran-2-ylcarbazol-3-yl)-N,2-diphenylaniline.
What is the SMILES notation for 5-(9-dibenzofuran-2-ylcarbazol-3-yl)-N,2-diphenylaniline?
The canonical SMILES for 5-(9-dibenzofuran-2-ylcarbazol-3-yl)-N,2-diphenylaniline is c1ccc(Nc2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5ccccc5c4c3)ccc2-c2ccccc2)cc1.
What is the InChIKey of 5-(9-dibenzofuran-2-ylcarbazol-3-yl)-N,2-diphenylaniline?
The InChIKey is ZHCPZKSFWBCRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2O/c1-3-11-28(12-4-1)33-22-19-30(26-38(33)43-31-13-5-2-6-14-31)29-20-23-40-36(25-29)34-15-7-9-17-39(34)44(40)32-21-24-42-37(27-32)35-16-8-10-18-41(35)45-42/h1-27,43H.
What are the key properties of 5-(9-dibenzofuran-2-ylcarbazol-3-yl)-N,2-diphenylaniline?
5-(9-dibenzofuran-2-ylcarbazol-3-yl)-N,2-diphenylaniline has a molecular weight of 576.70 g/mol, XLogP of 11.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-dibenzofuran-2-ylcarbazol-3-yl)-N,2-diphenylaniline is sourced from PubChem (CID 118534077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).