12-(2,6-diphenyl-4-pyridinyl)-5-methyl-11-phenylindolo[2,3-a]carbazole

C42H29N3 — CID 58142375

IUPAC12-(2,6-diphenyl-4-pyridinyl)-5-methyl-11-phenylindolo[2,3-a]carbazole
SMILESCc1cc2c3ccccc3n(-c3ccccc3)c2c2c1c1ccccc1n2-c1cc(-c2ccccc2)nc(-c2ccccc2)c1
InChIInChI=1S/C42H29N3/c1-28-25-35-33-21-11-13-23-38(33)44(31-19-9-4-10-20-31)41(35)42-40(28)34-22-12-14-24-39(34)45(42)32-26-36(29-15-5-2-6-16-29)43-37(27-32)30-17-7-3-8-18-30/h2-27H,1H3
InChIKeyLMVAVUZQYPCQAL-UHFFFAOYSA-N
MW575.72 g/mol
LogP10.92
Rot. Bonds4

About 12-(2,6-diphenyl-4-pyridinyl)-5-methyl-11-phenylindolo[2,3-a]carbazole

12-(2,6-diphenyl-4-pyridinyl)-5-methyl-11-phenylindolo[2,3-a]carbazole (PubChem CID 58142375) has the molecular formula C42H29N3 and a molecular weight of 575.72 g/mol. Its IUPAC name is 12-(2,6-diphenyl-4-pyridinyl)-5-methyl-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(2,6-diphenyl-4-pyridinyl)-5-methyl-11-phenylindolo[2,3-a]carbazole
PubChem CID58142375
Molecular FormulaC42H29N3
Molecular Weight575.72 g/mol
Exact Mass575.24
IUPAC Name12-(2,6-diphenyl-4-pyridinyl)-5-methyl-11-phenylindolo[2,3-a]carbazole
SMILESCc1cc2c3ccccc3n(-c3ccccc3)c2c2c1c1ccccc1n2-c1cc(-c2ccccc2)nc(-c2ccccc2)c1
InChIInChI=1S/C42H29N3/c1-28-25-35-33-21-11-13-23-38(33)44(31-19-9-4-10-20-31)41(35)42-40(28)34-22-12-14-24-39(34)45(42)32-26-36(29-15-5-2-6-16-29)43-37(27-32)30-17-7-3-8-18-30/h2-27H,1H3
InChIKeyLMVAVUZQYPCQAL-UHFFFAOYSA-N
XLogP10.92
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.72
LogP ≤ 510.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

11-phenyl-12-[2-phenyl-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]indolo[2,3-a]carbazole
CID 118041109
12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole
CID 159013208
12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 118501935
5-cyclohexa-1,3-dien-1-yl-12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole
CID 130184261
12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole
CID 58142311
5-phenyl-11-(4-phenylphenyl)-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole
CID 170255419
5,11-diphenyl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole
CID 170255412
12-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole
CID 157204309
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
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
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
2-(2,6-diphenylpyrimidin-4-yl)-7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole
CID 134598132

Frequently Asked Questions

What is the IUPAC name of 12-(2,6-diphenyl-4-pyridinyl)-5-methyl-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-(2,6-diphenyl-4-pyridinyl)-5-methyl-11-phenylindolo[2,3-a]carbazole (CID 58142375) is 12-(2,6-diphenyl-4-pyridinyl)-5-methyl-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-(2,6-diphenyl-4-pyridinyl)-5-methyl-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-(2,6-diphenyl-4-pyridinyl)-5-methyl-11-phenylindolo[2,3-a]carbazole is Cc1cc2c3ccccc3n(-c3ccccc3)c2c2c1c1ccccc1n2-c1cc(-c2ccccc2)nc(-c2ccccc2)c1.
What is the InChIKey of 12-(2,6-diphenyl-4-pyridinyl)-5-methyl-11-phenylindolo[2,3-a]carbazole?
The InChIKey is LMVAVUZQYPCQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N3/c1-28-25-35-33-21-11-13-23-38(33)44(31-19-9-4-10-20-31)41(35)42-40(28)34-22-12-14-24-39(34)45(42)32-26-36(29-15-5-2-6-16-29)43-37(27-32)30-17-7-3-8-18-30/h2-27H,1H3.
What are the key properties of 12-(2,6-diphenyl-4-pyridinyl)-5-methyl-11-phenylindolo[2,3-a]carbazole?
12-(2,6-diphenyl-4-pyridinyl)-5-methyl-11-phenylindolo[2,3-a]carbazole has a molecular weight of 575.72 g/mol, XLogP of 10.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2,6-diphenyl-4-pyridinyl)-5-methyl-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 58142375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).