5-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]pyrido[4,3-b]indole

C40H24N4O — CID 89433740

IUPAC5-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]pyrido[4,3-b]indole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccc(-c4cncc(-n5c6ccccc6c6cnccc65)c4)cc3c2c1
InChIInChI=1S/C40H24N4O/c1-4-10-35-29(7-1)30-8-2-5-11-36(30)43(35)27-14-16-40-33(21-27)32-20-25(13-15-39(32)45-40)26-19-28(23-42-22-26)44-37-12-6-3-9-31(37)34-24-41-18-17-38(34)44/h1-24H
InChIKeyDDVHKRQXQGKOET-UHFFFAOYSA-N
MW576.66 g/mol
LogP10.24
Rot. Bonds3

About 5-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]pyrido[4,3-b]indole

5-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]pyrido[4,3-b]indole (PubChem CID 89433740) has the molecular formula C40H24N4O and a molecular weight of 576.66 g/mol. Its IUPAC name is 5-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]pyrido[4,3-b]indole
PubChem CID89433740
Molecular FormulaC40H24N4O
Molecular Weight576.66 g/mol
Exact Mass576.20
IUPAC Name5-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]pyrido[4,3-b]indole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccc(-c4cncc(-n5c6ccccc6c6cnccc65)c4)cc3c2c1
InChIInChI=1S/C40H24N4O/c1-4-10-35-29(7-1)30-8-2-5-11-36(30)43(35)27-14-16-40-33(21-27)32-20-25(13-15-39(32)45-40)26-19-28(23-42-22-26)44-37-12-6-3-9-31(37)34-24-41-18-17-38(34)44/h1-24H
InChIKeyDDVHKRQXQGKOET-UHFFFAOYSA-N
XLogP10.24
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.66
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]pyrido[4,3-b]indole;9-[5-(8-carbazol-9-yldibenzothiophen-2-yl)-3-pyridinyl]carbazole;5-[8-(5-carbazol-9-yl-3-pyridinyl)dibenzofuran-2-yl]pyrido[4,3-b]indole;9-[8-(6-dibenzofuran-2-yl-2-pyridinyl)dibenzofuran-2-yl]carbazole;9-[8-(6-dibenzothiophen-2-yl-2-pyridinyl)dibenzofuran-2-yl]carbazole
CID 159862804
3-pyridin-3-yl-9-(8-pyridin-3-yldibenzofuran-2-yl)carbazole
CID 163439035
9-[8-[3-(8-pyrido[3,4-b]indol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]pyrido[3,4-b]indole
CID 58038552
9-[3-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]phenyl]-3,6-diphenylcarbazole
CID 89433885
2-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]-9-phenylcarbazole
CID 89433782
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 59348295
9-[16-(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
CID 59147197
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
8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-phenylpyrido[4,3-b]indole
CID 170060405
9-[4-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole
CID 118148524
8-dibenzofuran-2-yl-5-[3-(8-dibenzofuran-2-ylpyrido[4,3-b]indol-5-yl)-1-benzothiophen-5-yl]pyrido[4,3-b]indole
CID 90251052
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276

Frequently Asked Questions

What is the IUPAC name of 5-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]pyrido[4,3-b]indole?
The IUPAC name of 5-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]pyrido[4,3-b]indole (CID 89433740) is 5-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]pyrido[4,3-b]indole.
What is the SMILES notation for 5-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]pyrido[4,3-b]indole?
The canonical SMILES for 5-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]pyrido[4,3-b]indole is c1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccc(-c4cncc(-n5c6ccccc6c6cnccc65)c4)cc3c2c1.
What is the InChIKey of 5-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]pyrido[4,3-b]indole?
The InChIKey is DDVHKRQXQGKOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4O/c1-4-10-35-29(7-1)30-8-2-5-11-36(30)43(35)27-14-16-40-33(21-27)32-20-25(13-15-39(32)45-40)26-19-28(23-42-22-26)44-37-12-6-3-9-31(37)34-24-41-18-17-38(34)44/h1-24H.
What are the key properties of 5-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]pyrido[4,3-b]indole?
5-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]pyrido[4,3-b]indole has a molecular weight of 576.66 g/mol, XLogP of 10.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]pyrido[4,3-b]indole is sourced from PubChem (CID 89433740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).