11-cyclohexa-2,4-dien-1-yl-5-(4,6-diphenyl-2-pyridinyl)indolo[3,2-b]carbazole

C41H29N3 — CID 163688380

IUPAC11-cyclohexa-2,4-dien-1-yl-5-(4,6-diphenyl-2-pyridinyl)indolo[3,2-b]carbazole
SMILESC1=CCC(n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)C=C1
InChIInChI=1S/C41H29N3/c1-4-14-28(15-5-1)30-24-36(29-16-6-2-7-17-29)42-41(25-30)44-38-23-13-11-21-33(38)35-26-39-34(27-40(35)44)32-20-10-12-22-37(32)43(39)31-18-8-3-9-19-31/h1-18,20-27,31H,19H2
InChIKeyJQWJTZRDIYRYPN-UHFFFAOYSA-N
MW563.70 g/mol
LogP10.68
Rot. Bonds4

About 11-cyclohexa-2,4-dien-1-yl-5-(4,6-diphenyl-2-pyridinyl)indolo[3,2-b]carbazole

11-cyclohexa-2,4-dien-1-yl-5-(4,6-diphenyl-2-pyridinyl)indolo[3,2-b]carbazole (PubChem CID 163688380) has the molecular formula C41H29N3 and a molecular weight of 563.70 g/mol. Its IUPAC name is 11-cyclohexa-2,4-dien-1-yl-5-(4,6-diphenyl-2-pyridinyl)indolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-cyclohexa-2,4-dien-1-yl-5-(4,6-diphenyl-2-pyridinyl)indolo[3,2-b]carbazole
PubChem CID163688380
Molecular FormulaC41H29N3
Molecular Weight563.70 g/mol
Exact Mass563.24
IUPAC Name11-cyclohexa-2,4-dien-1-yl-5-(4,6-diphenyl-2-pyridinyl)indolo[3,2-b]carbazole
SMILESC1=CCC(n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)C=C1
InChIInChI=1S/C41H29N3/c1-4-14-28(15-5-1)30-24-36(29-16-6-2-7-17-29)42-41(25-30)44-38-23-13-11-21-33(38)35-26-39-34(27-40(35)44)32-20-10-12-22-37(32)43(39)31-18-8-3-9-19-31/h1-18,20-27,31H,19H2
InChIKeyJQWJTZRDIYRYPN-UHFFFAOYSA-N
XLogP10.68
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.70
LogP ≤ 510.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclohexa-2,4-dien-1-yl-25-(4,6-diphenylpyrimidin-2-yl)-15-thia-5,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,18(26),19,21,23-dodecaene
CID 118312811
11-cyclohexa-2,4-dien-1-yl-5-[4-(3,5-diphenylphenyl)-6-(2-phenylpyrimidin-5-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 70912461
9-cyclohexa-2,4-dien-1-yl-3-phenylcarbazole
CID 129111739
3-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118686609
3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole
CID 88529559
5-[4-(3-phenylphenyl)phenyl]-11-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]indolo[3,2-b]carbazole
CID 121385503
11-(4,6-diphenyl-2-pyridinyl)-1,11-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-2,4(12),5,7,9,13,15,17,19,21,23,25,27-tridecaene
CID 118330805
3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole
CID 142322093
9-(4,6-diphenyl-2-pyridinyl)-3-methylcarbazole;ethane
CID 144875865
2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 71286771
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-(4,6-diphenyl-2-pyridinyl)carbazole
CID 71286768
24-cyclohexa-2,4-dien-1-yl-11-(4,6-diphenyl-2-pyridinyl)-24-methyl-15-oxa-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
CID 163830930

Frequently Asked Questions

What is the IUPAC name of 11-cyclohexa-2,4-dien-1-yl-5-(4,6-diphenyl-2-pyridinyl)indolo[3,2-b]carbazole?
The IUPAC name of 11-cyclohexa-2,4-dien-1-yl-5-(4,6-diphenyl-2-pyridinyl)indolo[3,2-b]carbazole (CID 163688380) is 11-cyclohexa-2,4-dien-1-yl-5-(4,6-diphenyl-2-pyridinyl)indolo[3,2-b]carbazole.
What is the SMILES notation for 11-cyclohexa-2,4-dien-1-yl-5-(4,6-diphenyl-2-pyridinyl)indolo[3,2-b]carbazole?
The canonical SMILES for 11-cyclohexa-2,4-dien-1-yl-5-(4,6-diphenyl-2-pyridinyl)indolo[3,2-b]carbazole is C1=CCC(n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)C=C1.
What is the InChIKey of 11-cyclohexa-2,4-dien-1-yl-5-(4,6-diphenyl-2-pyridinyl)indolo[3,2-b]carbazole?
The InChIKey is JQWJTZRDIYRYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N3/c1-4-14-28(15-5-1)30-24-36(29-16-6-2-7-17-29)42-41(25-30)44-38-23-13-11-21-33(38)35-26-39-34(27-40(35)44)32-20-10-12-22-37(32)43(39)31-18-8-3-9-19-31/h1-18,20-27,31H,19H2.
What are the key properties of 11-cyclohexa-2,4-dien-1-yl-5-(4,6-diphenyl-2-pyridinyl)indolo[3,2-b]carbazole?
11-cyclohexa-2,4-dien-1-yl-5-(4,6-diphenyl-2-pyridinyl)indolo[3,2-b]carbazole has a molecular weight of 563.70 g/mol, XLogP of 10.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-cyclohexa-2,4-dien-1-yl-5-(4,6-diphenyl-2-pyridinyl)indolo[3,2-b]carbazole is sourced from PubChem (CID 163688380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).