3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole

C42H26N2O — CID 70658931

IUPAC3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccc7c(c6)oc6ccccc67)c5c4)ccc32)cc1
InChIInChI=1S/C42H26N2O/c1-2-10-29(11-3-1)43-38-16-8-5-13-32(38)36-24-27(19-23-39(36)43)28-18-21-33-31-12-4-7-15-37(31)44(40(33)25-28)30-20-22-35-34-14-6-9-17-41(34)45-42(35)26-30/h1-26H
InChIKeyBXDTUYARCRHTQK-UHFFFAOYSA-N
MW574.68 g/mol
LogP11.45
Rot. Bonds3

About 3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole

3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole (PubChem CID 70658931) has the molecular formula C42H26N2O and a molecular weight of 574.68 g/mol. Its IUPAC name is 3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole
PubChem CID70658931
Molecular FormulaC42H26N2O
Molecular Weight574.68 g/mol
Exact Mass574.20
IUPAC Name3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccc7c(c6)oc6ccccc67)c5c4)ccc32)cc1
InChIInChI=1S/C42H26N2O/c1-2-10-29(11-3-1)43-38-16-8-5-13-32(38)36-24-27(19-23-39(36)43)28-18-21-33-31-12-4-7-15-37(31)44(40(33)25-28)30-20-22-35-34-14-6-9-17-41(34)45-42(35)26-30/h1-26H
InChIKeyBXDTUYARCRHTQK-UHFFFAOYSA-N
XLogP11.45
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.68
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594553
3-[9-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)carbazol-2-yl]-9-phenylcarbazole
CID 135171606
3-[9-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142497222
2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594589
3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 146187490
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 129065102
3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole
CID 118504725
2-[9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 170386572
3-(9-dibenzofuran-3-yl-6-methoxycarbazol-2-yl)-6-methoxy-9-phenylcarbazole
CID 70658940
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
3,9-diphenyl-6-[7-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole
CID 118565399
15-(9-dibenzofuran-3-ylcarbazol-3-yl)-11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 174349854

Frequently Asked Questions

What is the IUPAC name of 3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole?
The IUPAC name of 3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole (CID 70658931) is 3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole?
The canonical SMILES for 3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccc7c(c6)oc6ccccc67)c5c4)ccc32)cc1.
What is the InChIKey of 3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole?
The InChIKey is BXDTUYARCRHTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2O/c1-2-10-29(11-3-1)43-38-16-8-5-13-32(38)36-24-27(19-23-39(36)43)28-18-21-33-31-12-4-7-15-37(31)44(40(33)25-28)30-20-22-35-34-14-6-9-17-41(34)45-42(35)26-30/h1-26H.
What are the key properties of 3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole?
3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole has a molecular weight of 574.68 g/mol, XLogP of 11.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole is sourced from PubChem (CID 70658931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).