3-carbazol-9-yl-9-(3-phenyldibenzofuran-1-yl)carbazole

C42H26N2O — CID 170386086

IUPAC3-carbazol-9-yl-9-(3-phenyldibenzofuran-1-yl)carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C42H26N2O/c1-2-12-27(13-3-1)28-24-39(42-33-17-7-11-21-40(33)45-41(42)25-28)44-37-20-10-6-16-32(37)34-26-29(22-23-38(34)44)43-35-18-8-4-14-30(35)31-15-5-9-19-36(31)43/h1-26H
InChIKeyYXFVJSBTUBCSQL-UHFFFAOYSA-N
MW574.68 g/mol
LogP11.45
Rot. Bonds3

About 3-carbazol-9-yl-9-(3-phenyldibenzofuran-1-yl)carbazole

3-carbazol-9-yl-9-(3-phenyldibenzofuran-1-yl)carbazole (PubChem CID 170386086) has the molecular formula C42H26N2O and a molecular weight of 574.68 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-(3-phenyldibenzofuran-1-yl)carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-(3-phenyldibenzofuran-1-yl)carbazole
PubChem CID170386086
Molecular FormulaC42H26N2O
Molecular Weight574.68 g/mol
Exact Mass574.20
IUPAC Name3-carbazol-9-yl-9-(3-phenyldibenzofuran-1-yl)carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C42H26N2O/c1-2-12-27(13-3-1)28-24-39(42-33-17-7-11-21-40(33)45-41(42)25-28)44-37-20-10-6-16-32(37)34-26-29(22-23-38(34)44)43-35-18-8-4-14-30(35)31-15-5-9-19-36(31)43/h1-26H
InChIKeyYXFVJSBTUBCSQL-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

2-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 172512187
2-(9-phenylcarbazol-2-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 167201074
3-carbazol-9-yl-9-(8-carbazol-9-yldibenzofuran-1-yl)carbazole
CID 176831663
3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-9-(4-phenylphenyl)carbazole
CID 158968251
3-carbazol-9-yl-9-[9-(9-carbazol-9-yldibenzofuran-3-yl)carbazol-3-yl]carbazole
CID 176831734
4-(9-phenylcarbazol-4-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 167200557
3-(9-phenylcarbazol-3-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole
CID 168850152
3-phenyl-9-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
CID 170390017
9-dibenzofuran-1-yl-14-(3,5-diphenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 171414752
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3,5-diphenylphenyl)carbazole
CID 71100014
9-dibenzofuran-2-yl-3-[3-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 123613126
3-[9-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)carbazol-3-yl]-9-phenylcarbazole
CID 163499661

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-(3-phenyldibenzofuran-1-yl)carbazole?
The IUPAC name of 3-carbazol-9-yl-9-(3-phenyldibenzofuran-1-yl)carbazole (CID 170386086) is 3-carbazol-9-yl-9-(3-phenyldibenzofuran-1-yl)carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-(3-phenyldibenzofuran-1-yl)carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-(3-phenyldibenzofuran-1-yl)carbazole is c1ccc(-c2cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c3c(c2)oc2ccccc23)cc1.
What is the InChIKey of 3-carbazol-9-yl-9-(3-phenyldibenzofuran-1-yl)carbazole?
The InChIKey is YXFVJSBTUBCSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2O/c1-2-12-27(13-3-1)28-24-39(42-33-17-7-11-21-40(33)45-41(42)25-28)44-37-20-10-6-16-32(37)34-26-29(22-23-38(34)44)43-35-18-8-4-14-30(35)31-15-5-9-19-36(31)43/h1-26H.
What are the key properties of 3-carbazol-9-yl-9-(3-phenyldibenzofuran-1-yl)carbazole?
3-carbazol-9-yl-9-(3-phenyldibenzofuran-1-yl)carbazole 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-carbazol-9-yl-9-(3-phenyldibenzofuran-1-yl)carbazole is sourced from PubChem (CID 170386086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).