5-cyclohexa-1,3-dien-1-yl-12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole

C47H33N3 — CID 130184261

IUPAC5-cyclohexa-1,3-dien-1-yl-12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole
SMILESC1=CCCC(c2cc3c4ccccc4n(-c4ccccc4)c3c3c2c2ccccc2n3-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)=C1
InChIInChI=1S/C47H33N3/c1-5-17-32(18-6-1)39-31-40-37-25-13-15-27-43(37)49(35-23-11-4-12-24-35)46(40)47-45(39)38-26-14-16-28-44(38)50(47)36-29-41(33-19-7-2-8-20-33)48-42(30-36)34-21-9-3-10-22-34/h1-5,7-17,19-31H,6,18H2
InChIKeyJQSKLLDANUBXAZ-UHFFFAOYSA-N
MW639.80 g/mol
LogP12.34
Rot. Bonds5

About 5-cyclohexa-1,3-dien-1-yl-12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole

5-cyclohexa-1,3-dien-1-yl-12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole (PubChem CID 130184261) has the molecular formula C47H33N3 and a molecular weight of 639.80 g/mol. Its IUPAC name is 5-cyclohexa-1,3-dien-1-yl-12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name5-cyclohexa-1,3-dien-1-yl-12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole
PubChem CID130184261
Molecular FormulaC47H33N3
Molecular Weight639.80 g/mol
Exact Mass639.27
IUPAC Name5-cyclohexa-1,3-dien-1-yl-12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole
SMILESC1=CCCC(c2cc3c4ccccc4n(-c4ccccc4)c3c3c2c2ccccc2n3-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)=C1
InChIInChI=1S/C47H33N3/c1-5-17-32(18-6-1)39-31-40-37-25-13-15-27-43(37)49(35-23-11-4-12-24-35)46(40)47-45(39)38-26-14-16-28-44(38)50(47)36-29-41(33-19-7-2-8-20-33)48-42(30-36)34-21-9-3-10-22-34/h1-5,7-17,19-31H,6,18H2
InChIKeyJQSKLLDANUBXAZ-UHFFFAOYSA-N
XLogP12.34
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.80
LogP ≤ 512.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-(2,6-diphenyl-4-pyridinyl)-5-methyl-11-phenylindolo[2,3-a]carbazole
CID 58142375
5,11-diphenyl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole
CID 170255412
5-phenyl-11-(4-phenylphenyl)-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole
CID 170255419
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-5-[3-[6-phenyl-2-[11-phenyl-5-[3-[6-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazol-12-yl]pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole
CID 154982787
11-phenyl-12-[2-phenyl-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]indolo[2,3-a]carbazole
CID 118041109
5,11-diphenyl-12-[6-phenyl-4-[4-(3-phenylphenyl)phenyl]-2-pyridinyl]indolo[2,3-a]carbazole
CID 170255430
5-[3,5-bis[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]phenyl]-11,12-diphenylindolo[2,3-a]carbazole
CID 164785763
9-[3-(4-cyclohexa-1,3-dien-1-ylphenyl)phenyl]-19-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 166702950
11,12-diphenyl-5-(1-phenylbenzimidazol-2-yl)indolo[2,3-a]carbazole
CID 163519466
3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(2,6-diphenyl-4-pyridinyl)carbazol-4-yl]-9-phenylcarbazole
CID 158283831
3-[2-cyclohexa-1,3-dien-1-yl-3-phenyl-5-(9-phenylcarbazol-3-yl)pyrazino[2,3-b]indol-8-yl]-11,12-diphenylindolo[2,3-a]carbazole
CID 154934008
12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 118501935

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexa-1,3-dien-1-yl-12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 5-cyclohexa-1,3-dien-1-yl-12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole (CID 130184261) is 5-cyclohexa-1,3-dien-1-yl-12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 5-cyclohexa-1,3-dien-1-yl-12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 5-cyclohexa-1,3-dien-1-yl-12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole is C1=CCCC(c2cc3c4ccccc4n(-c4ccccc4)c3c3c2c2ccccc2n3-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)=C1.
What is the InChIKey of 5-cyclohexa-1,3-dien-1-yl-12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole?
The InChIKey is JQSKLLDANUBXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N3/c1-5-17-32(18-6-1)39-31-40-37-25-13-15-27-43(37)49(35-23-11-4-12-24-35)46(40)47-45(39)38-26-14-16-28-44(38)50(47)36-29-41(33-19-7-2-8-20-33)48-42(30-36)34-21-9-3-10-22-34/h1-5,7-17,19-31H,6,18H2.
What are the key properties of 5-cyclohexa-1,3-dien-1-yl-12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole?
5-cyclohexa-1,3-dien-1-yl-12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole has a molecular weight of 639.80 g/mol, XLogP of 12.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexa-1,3-dien-1-yl-12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 130184261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).