9-[3-(6-carbazol-9-yl-6,7-dihydrodibenzofuran-2-yl)phenyl]carbazole

C42H28N2O — CID 163872457

IUPAC9-[3-(6-carbazol-9-yl-6,7-dihydrodibenzofuran-2-yl)phenyl]carbazole
SMILESC1=Cc2c(oc3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc23)C(n2c3ccccc3c3ccccc32)C1
InChIInChI=1S/C42H28N2O/c1-5-18-36-30(13-1)31-14-2-6-19-37(31)43(36)29-12-9-11-27(25-29)28-23-24-41-35(26-28)34-17-10-22-40(42(34)45-41)44-38-20-7-3-15-32(38)33-16-4-8-21-39(33)44/h1-21,23-26,40H,22H2
InChIKeyPMAIOKNOSYJLAS-UHFFFAOYSA-N
MW576.70 g/mol
LogP11.31
Rot. Bonds3

About 9-[3-(6-carbazol-9-yl-6,7-dihydrodibenzofuran-2-yl)phenyl]carbazole

9-[3-(6-carbazol-9-yl-6,7-dihydrodibenzofuran-2-yl)phenyl]carbazole (PubChem CID 163872457) has the molecular formula C42H28N2O and a molecular weight of 576.70 g/mol. Its IUPAC name is 9-[3-(6-carbazol-9-yl-6,7-dihydrodibenzofuran-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-(6-carbazol-9-yl-6,7-dihydrodibenzofuran-2-yl)phenyl]carbazole
PubChem CID163872457
Molecular FormulaC42H28N2O
Molecular Weight576.70 g/mol
Exact Mass576.22
IUPAC Name9-[3-(6-carbazol-9-yl-6,7-dihydrodibenzofuran-2-yl)phenyl]carbazole
SMILESC1=Cc2c(oc3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc23)C(n2c3ccccc3c3ccccc32)C1
InChIInChI=1S/C42H28N2O/c1-5-18-36-30(13-1)31-14-2-6-19-37(31)43(36)29-12-9-11-27(25-29)28-23-24-41-35(26-28)34-17-10-22-40(42(34)45-41)44-38-20-7-3-15-32(38)33-16-4-8-21-39(33)44/h1-21,23-26,40H,22H2
InChIKeyPMAIOKNOSYJLAS-UHFFFAOYSA-N
XLogP11.31
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.70
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-(4-phenylphenyl)aniline
CID 170278129
9-[3-[3-[3-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 90265507
9-(9-chloro-3,4-dihydrodibenzofuran-4-yl)carbazole
CID 146334278
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
9-(6,7-dihydrodibenzofuran-2-yl)-3-[3-[9-(6,7-dihydrodibenzofuran-2-yl)carbazol-3-yl]phenyl]carbazole
CID 144541028
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119
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
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole;9-[8-[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]dibenzofuran-2-yl]carbazole
CID 158645763
3-[9-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 154593068
3-[3-(3-phenylphenyl)phenyl]-9-[3-[8-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazole
CID 118505153
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263

Frequently Asked Questions

What is the IUPAC name of 9-[3-(6-carbazol-9-yl-6,7-dihydrodibenzofuran-2-yl)phenyl]carbazole?
The IUPAC name of 9-[3-(6-carbazol-9-yl-6,7-dihydrodibenzofuran-2-yl)phenyl]carbazole (CID 163872457) is 9-[3-(6-carbazol-9-yl-6,7-dihydrodibenzofuran-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[3-(6-carbazol-9-yl-6,7-dihydrodibenzofuran-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[3-(6-carbazol-9-yl-6,7-dihydrodibenzofuran-2-yl)phenyl]carbazole is C1=Cc2c(oc3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc23)C(n2c3ccccc3c3ccccc32)C1.
What is the InChIKey of 9-[3-(6-carbazol-9-yl-6,7-dihydrodibenzofuran-2-yl)phenyl]carbazole?
The InChIKey is PMAIOKNOSYJLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2O/c1-5-18-36-30(13-1)31-14-2-6-19-37(31)43(36)29-12-9-11-27(25-29)28-23-24-41-35(26-28)34-17-10-22-40(42(34)45-41)44-38-20-7-3-15-32(38)33-16-4-8-21-39(33)44/h1-21,23-26,40H,22H2.
What are the key properties of 9-[3-(6-carbazol-9-yl-6,7-dihydrodibenzofuran-2-yl)phenyl]carbazole?
9-[3-(6-carbazol-9-yl-6,7-dihydrodibenzofuran-2-yl)phenyl]carbazole has a molecular weight of 576.70 g/mol, XLogP of 11.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(6-carbazol-9-yl-6,7-dihydrodibenzofuran-2-yl)phenyl]carbazole is sourced from PubChem (CID 163872457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).