11-phenyl-12-[2-phenyl-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]indolo[2,3-a]carbazole

C53H34N4 — CID 118041109

IUPAC11-phenyl-12-[2-phenyl-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C53H34N4/c1-4-16-35(17-5-1)46-33-39(34-47(54-46)36-28-31-51-45(32-36)42-24-12-13-25-48(42)55(51)37-18-6-2-7-19-37)57-50-27-15-11-23-41(50)44-30-29-43-40-22-10-14-26-49(40)56(52(43)53(44)57)38-20-8-3-9-21-38/h1-34H
InChIKeyUWVCVVOPSQXCBU-UHFFFAOYSA-N
MW726.88 g/mol
LogP13.71
Rot. Bonds5

About 11-phenyl-12-[2-phenyl-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]indolo[2,3-a]carbazole

11-phenyl-12-[2-phenyl-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]indolo[2,3-a]carbazole (PubChem CID 118041109) has the molecular formula C53H34N4 and a molecular weight of 726.88 g/mol. Its IUPAC name is 11-phenyl-12-[2-phenyl-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-phenyl-12-[2-phenyl-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]indolo[2,3-a]carbazole
PubChem CID118041109
Molecular FormulaC53H34N4
Molecular Weight726.88 g/mol
Exact Mass726.28
IUPAC Name11-phenyl-12-[2-phenyl-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C53H34N4/c1-4-16-35(17-5-1)46-33-39(34-47(54-46)36-28-31-51-45(32-36)42-24-12-13-25-48(42)55(51)37-18-6-2-7-19-37)57-50-27-15-11-23-41(50)44-30-29-43-40-22-10-14-26-49(40)56(52(43)53(44)57)38-20-8-3-9-21-38/h1-34H
InChIKeyUWVCVVOPSQXCBU-UHFFFAOYSA-N
XLogP13.71
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.88
LogP ≤ 513.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole
CID 58142311
12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 118501935
5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-15,18-diphenyl-5,15,18-triazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15,18-diphenyl-5,15,18-triazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene
CID 159556632
11-phenyl-12-[3-[6-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole
CID 121465287
3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole
CID 70934573
3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71286913
3-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 161437197
2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511300
1-[4-[3-[2-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149315
12-[2,6-bis(2-phenylpyrimidin-5-yl)-4-pyridinyl]-11-phenylindolo[2,3-a]carbazole;11-(4-carbazol-9-ylphenyl)-12-(2,6-diphenyl-4-pyridinyl)indolo[2,3-a]carbazole;12-[2-(3-carbazol-9-ylphenyl)-6-phenyl-4-pyridinyl]-11-phenylindolo[2,3-a]carbazole
CID 159564532
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 160782385
2-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole
CID 157419246

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-12-[2-phenyl-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]indolo[2,3-a]carbazole?
The IUPAC name of 11-phenyl-12-[2-phenyl-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]indolo[2,3-a]carbazole (CID 118041109) is 11-phenyl-12-[2-phenyl-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]indolo[2,3-a]carbazole.
What is the SMILES notation for 11-phenyl-12-[2-phenyl-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]indolo[2,3-a]carbazole?
The canonical SMILES for 11-phenyl-12-[2-phenyl-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]indolo[2,3-a]carbazole is c1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1.
What is the InChIKey of 11-phenyl-12-[2-phenyl-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]indolo[2,3-a]carbazole?
The InChIKey is UWVCVVOPSQXCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4/c1-4-16-35(17-5-1)46-33-39(34-47(54-46)36-28-31-51-45(32-36)42-24-12-13-25-48(42)55(51)37-18-6-2-7-19-37)57-50-27-15-11-23-41(50)44-30-29-43-40-22-10-14-26-49(40)56(52(43)53(44)57)38-20-8-3-9-21-38/h1-34H.
What are the key properties of 11-phenyl-12-[2-phenyl-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]indolo[2,3-a]carbazole?
11-phenyl-12-[2-phenyl-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]indolo[2,3-a]carbazole has a molecular weight of 726.88 g/mol, XLogP of 13.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-12-[2-phenyl-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 118041109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).