11-cyclohepta-1,4,6-trien-1-yl-12-(4-imidazo[1,2-a]pyridin-2-ylphenyl)indolo[2,3-a]carbazole

C38H26N4 — CID 144549229

IUPAC11-cyclohepta-1,4,6-trien-1-yl-12-(4-imidazo[1,2-a]pyridin-2-ylphenyl)indolo[2,3-a]carbazole
SMILESC1=CCC=C(n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-c6cn7ccccc7n6)cc5)c4c32)C=C1
InChIInChI=1S/C38H26N4/c1-2-4-12-27(11-3-1)41-34-15-7-5-13-29(34)31-22-23-32-30-14-6-8-16-35(30)42(38(32)37(31)41)28-20-18-26(19-21-28)33-25-40-24-10-9-17-36(40)39-33/h1-3,5-25H,4H2
InChIKeyFGNVHQKYIGEULF-UHFFFAOYSA-N
MW538.65 g/mol
LogP9.56
Rot. Bonds3

About 11-cyclohepta-1,4,6-trien-1-yl-12-(4-imidazo[1,2-a]pyridin-2-ylphenyl)indolo[2,3-a]carbazole

11-cyclohepta-1,4,6-trien-1-yl-12-(4-imidazo[1,2-a]pyridin-2-ylphenyl)indolo[2,3-a]carbazole (PubChem CID 144549229) has the molecular formula C38H26N4 and a molecular weight of 538.65 g/mol. Its IUPAC name is 11-cyclohepta-1,4,6-trien-1-yl-12-(4-imidazo[1,2-a]pyridin-2-ylphenyl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-cyclohepta-1,4,6-trien-1-yl-12-(4-imidazo[1,2-a]pyridin-2-ylphenyl)indolo[2,3-a]carbazole
PubChem CID144549229
Molecular FormulaC38H26N4
Molecular Weight538.65 g/mol
Exact Mass538.22
IUPAC Name11-cyclohepta-1,4,6-trien-1-yl-12-(4-imidazo[1,2-a]pyridin-2-ylphenyl)indolo[2,3-a]carbazole
SMILESC1=CCC=C(n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-c6cn7ccccc7n6)cc5)c4c32)C=C1
InChIInChI=1S/C38H26N4/c1-2-4-12-27(11-3-1)41-34-15-7-5-13-29(34)31-22-23-32-30-14-6-8-16-35(30)42(38(32)37(31)41)28-20-18-26(19-21-28)33-25-40-24-10-9-17-36(40)39-33/h1-3,5-25H,4H2
InChIKeyFGNVHQKYIGEULF-UHFFFAOYSA-N
XLogP9.56
TPSA27.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.65
LogP ≤ 59.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[10-(4-carbazol-9-ylphenyl)-2-[10-[3-(1-cyclohepta-1,4,6-trien-1-ylbenzimidazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole
CID 143535557
9-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)dibenzothiophen-3-yl]carbazole
CID 118530396
12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 118501935
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-imidazo[1,2-a]pyridin-2-yl-9-phenylcarbazole
CID 168835786
2-imidazo[1,2-a]pyridin-2-yl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole
CID 168835795
3-[4-(5,6-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9-phenylcarbazole
CID 67628160
11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole
CID 70938031
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 134252991
12-(4-cyclohexa-1,5-dien-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 146390187
5,22-diphenyl-18-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene;18-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-5,22-diphenyl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene
CID 158353313
9-[4-(2-cyclohepta-1,4,6-trien-1-ylquinazolin-4-yl)phenyl]-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene
CID 144696806

Frequently Asked Questions

What is the IUPAC name of 11-cyclohepta-1,4,6-trien-1-yl-12-(4-imidazo[1,2-a]pyridin-2-ylphenyl)indolo[2,3-a]carbazole?
The IUPAC name of 11-cyclohepta-1,4,6-trien-1-yl-12-(4-imidazo[1,2-a]pyridin-2-ylphenyl)indolo[2,3-a]carbazole (CID 144549229) is 11-cyclohepta-1,4,6-trien-1-yl-12-(4-imidazo[1,2-a]pyridin-2-ylphenyl)indolo[2,3-a]carbazole.
What is the SMILES notation for 11-cyclohepta-1,4,6-trien-1-yl-12-(4-imidazo[1,2-a]pyridin-2-ylphenyl)indolo[2,3-a]carbazole?
The canonical SMILES for 11-cyclohepta-1,4,6-trien-1-yl-12-(4-imidazo[1,2-a]pyridin-2-ylphenyl)indolo[2,3-a]carbazole is C1=CCC=C(n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-c6cn7ccccc7n6)cc5)c4c32)C=C1.
What is the InChIKey of 11-cyclohepta-1,4,6-trien-1-yl-12-(4-imidazo[1,2-a]pyridin-2-ylphenyl)indolo[2,3-a]carbazole?
The InChIKey is FGNVHQKYIGEULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4/c1-2-4-12-27(11-3-1)41-34-15-7-5-13-29(34)31-22-23-32-30-14-6-8-16-35(30)42(38(32)37(31)41)28-20-18-26(19-21-28)33-25-40-24-10-9-17-36(40)39-33/h1-3,5-25H,4H2.
What are the key properties of 11-cyclohepta-1,4,6-trien-1-yl-12-(4-imidazo[1,2-a]pyridin-2-ylphenyl)indolo[2,3-a]carbazole?
11-cyclohepta-1,4,6-trien-1-yl-12-(4-imidazo[1,2-a]pyridin-2-ylphenyl)indolo[2,3-a]carbazole has a molecular weight of 538.65 g/mol, XLogP of 9.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-cyclohepta-1,4,6-trien-1-yl-12-(4-imidazo[1,2-a]pyridin-2-ylphenyl)indolo[2,3-a]carbazole is sourced from PubChem (CID 144549229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).