9-[8-[[6-(4a,9a-dihydrocarbazol-9-yl)-2-pyridinyl]methyl]dibenzofuran-2-yl]carbazole

C42H29N3O — CID 163460675

IUPAC9-[8-[[6-(4a,9a-dihydrocarbazol-9-yl)-2-pyridinyl]methyl]dibenzofuran-2-yl]carbazole
SMILESC1=CC2c3ccccc3N(c3cccc(Cc4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)n3)C2C=C1
InChIInChI=1S/C42H29N3O/c1-5-15-36-30(11-1)31-12-2-6-16-37(31)44(36)29-21-23-41-35(26-29)34-25-27(20-22-40(34)46-41)24-28-10-9-19-42(43-28)45-38-17-7-3-13-32(38)33-14-4-8-18-39(33)45/h1-23,25-26,32,38H,24H2
InChIKeyBOGSQFVICOZPRY-UHFFFAOYSA-N
MW591.71 g/mol
LogP10.40
Rot. Bonds4

About 9-[8-[[6-(4a,9a-dihydrocarbazol-9-yl)-2-pyridinyl]methyl]dibenzofuran-2-yl]carbazole

9-[8-[[6-(4a,9a-dihydrocarbazol-9-yl)-2-pyridinyl]methyl]dibenzofuran-2-yl]carbazole (PubChem CID 163460675) has the molecular formula C42H29N3O and a molecular weight of 591.71 g/mol. Its IUPAC name is 9-[8-[[6-(4a,9a-dihydrocarbazol-9-yl)-2-pyridinyl]methyl]dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name9-[8-[[6-(4a,9a-dihydrocarbazol-9-yl)-2-pyridinyl]methyl]dibenzofuran-2-yl]carbazole
PubChem CID163460675
Molecular FormulaC42H29N3O
Molecular Weight591.71 g/mol
Exact Mass591.23
IUPAC Name9-[8-[[6-(4a,9a-dihydrocarbazol-9-yl)-2-pyridinyl]methyl]dibenzofuran-2-yl]carbazole
SMILESC1=CC2c3ccccc3N(c3cccc(Cc4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)n3)C2C=C1
InChIInChI=1S/C42H29N3O/c1-5-15-36-30(11-1)31-12-2-6-16-37(31)44(36)29-21-23-41-35(26-29)34-25-27(20-22-40(34)46-41)24-28-10-9-19-42(43-28)45-38-17-7-3-13-32(38)33-14-4-8-18-39(33)45/h1-23,25-26,32,38H,24H2
InChIKeyBOGSQFVICOZPRY-UHFFFAOYSA-N
XLogP10.40
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.71
LogP ≤ 510.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[18-[[18-(4a,9a-dihydrocarbazol-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]sulfanyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole
CID 67953610
9-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-1-yl]carbazole
CID 166928424
9-[6-[3-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 163719008
9-[4-[[3-[[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]methyl]-5-[(4-carbazol-9-ylphenyl)methyl]phenyl]methyl]phenyl]carbazole
CID 70971569
9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole
CID 155323557
2-(4a,9a-dihydrocarbazol-9-yl)-9-carbazol-9-yl-12-dibenzofuran-2-yl-5-phenylindolo[3,2-c]carbazole
CID 71059003
9-[6-[3-[2-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 163612002
9-(4-dibenzofuran-4-ylphenyl)-3-[(9-phenyl-4b,8a-dihydrocarbazol-3-yl)methyl]carbazole
CID 155237382
10-(4a,9a-dihydrocarbazol-9-yl)-2-carbazol-9-yl-5,7-dihydroindolo[2,3-b]carbazole
CID 163728955
3-(4a,9a-dihydrocarbazol-9-yl)-9-[4-(2-tert-butyl-4,4-dimethylpentyl)phenyl]-6-carbazol-9-ylcarbazole
CID 147171657
9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 146530782
4-(4a,9a-dihydrocarbazol-9-yl)-9-[3-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134187059

Frequently Asked Questions

What is the IUPAC name of 9-[8-[[6-(4a,9a-dihydrocarbazol-9-yl)-2-pyridinyl]methyl]dibenzofuran-2-yl]carbazole?
The IUPAC name of 9-[8-[[6-(4a,9a-dihydrocarbazol-9-yl)-2-pyridinyl]methyl]dibenzofuran-2-yl]carbazole (CID 163460675) is 9-[8-[[6-(4a,9a-dihydrocarbazol-9-yl)-2-pyridinyl]methyl]dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 9-[8-[[6-(4a,9a-dihydrocarbazol-9-yl)-2-pyridinyl]methyl]dibenzofuran-2-yl]carbazole?
The canonical SMILES for 9-[8-[[6-(4a,9a-dihydrocarbazol-9-yl)-2-pyridinyl]methyl]dibenzofuran-2-yl]carbazole is C1=CC2c3ccccc3N(c3cccc(Cc4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)n3)C2C=C1.
What is the InChIKey of 9-[8-[[6-(4a,9a-dihydrocarbazol-9-yl)-2-pyridinyl]methyl]dibenzofuran-2-yl]carbazole?
The InChIKey is BOGSQFVICOZPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N3O/c1-5-15-36-30(11-1)31-12-2-6-16-37(31)44(36)29-21-23-41-35(26-29)34-25-27(20-22-40(34)46-41)24-28-10-9-19-42(43-28)45-38-17-7-3-13-32(38)33-14-4-8-18-39(33)45/h1-23,25-26,32,38H,24H2.
What are the key properties of 9-[8-[[6-(4a,9a-dihydrocarbazol-9-yl)-2-pyridinyl]methyl]dibenzofuran-2-yl]carbazole?
9-[8-[[6-(4a,9a-dihydrocarbazol-9-yl)-2-pyridinyl]methyl]dibenzofuran-2-yl]carbazole has a molecular weight of 591.71 g/mol, XLogP of 10.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-[[6-(4a,9a-dihydrocarbazol-9-yl)-2-pyridinyl]methyl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 163460675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).