12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(2-isocyanophenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(3-isocyanophenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(4-isocyanophenyl)indolo[3,2-c]carbazole

C144H90N12 — CID 159224531

IUPAC12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(2-isocyanophenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(3-isocyanophenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(4-isocyanophenyl)indolo[3,2-c]carbazole
SMILES[C-]#[N+]c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)c23)cc1.[C-]#[N+]c1cccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)c23)c1.[C-]#[N+]c1ccccc1-n1c2ccccc2c2c1ccc1c3ccccc3n(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)c12
InChIInChI=1S/3C48H30N4/c1-49-40-20-10-13-23-45(40)52-44-22-12-9-19-39(44)47-46(52)29-28-38-37-18-8-11-21-43(37)51(48(38)47)36-26-24-34(25-27-36)42-31-35(32-14-4-2-5-15-32)30-41(50-42)33-16-6-3-7-17-33;1-49-36-17-12-18-38(31-36)51-45-22-11-9-20-41(45)47-46(51)28-27-40-39-19-8-10-21-44(39)52(48(40)47)37-25-23-34(24-26-37)43-30-35(32-13-4-2-5-14-32)29-42(50-43)33-15-6-3-7-16-33;1-49-36-22-26-37(27-23-36)51-45-19-11-9-17-41(45)47-46(51)29-28-40-39-16-8-10-18-44(39)52(48(40)47)38-24-20-34(21-25-38)43-31-35(32-12-4-2-5-13-32)30-42(50-43)33-14-6-3-7-15-33/h3*2-31H
InChIKeyKSCUIXGNATXKGB-UHFFFAOYSA-N
MW1988.39 g/mol
LogP38.48
Rot. Bonds15

About 12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(2-isocyanophenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(3-isocyanophenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(4-isocyanophenyl)indolo[3,2-c]carbazole

12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(2-isocyanophenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(3-isocyanophenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(4-isocyanophenyl)indolo[3,2-c]carbazole (PubChem CID 159224531) has the molecular formula C144H90N12 and a molecular weight of 1988.39 g/mol. Its IUPAC name is 12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(2-isocyanophenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(3-isocyanophenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(4-isocyanophenyl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(2-isocyanophenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(3-isocyanophenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(4-isocyanophenyl)indolo[3,2-c]carbazole
PubChem CID159224531
Molecular FormulaC144H90N12
Molecular Weight1988.39 g/mol
Exact Mass1986.74
IUPAC Name12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(2-isocyanophenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(3-isocyanophenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(4-isocyanophenyl)indolo[3,2-c]carbazole
SMILES[C-]#[N+]c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)c23)cc1.[C-]#[N+]c1cccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)c23)c1.[C-]#[N+]c1ccccc1-n1c2ccccc2c2c1ccc1c3ccccc3n(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)c12
InChIInChI=1S/3C48H30N4/c1-49-40-20-10-13-23-45(40)52-44-22-12-9-19-39(44)47-46(52)29-28-38-37-18-8-11-21-43(37)51(48(38)47)36-26-24-34(25-27-36)42-31-35(32-14-4-2-5-15-32)30-41(50-42)33-16-6-3-7-17-33;1-49-36-17-12-18-38(31-36)51-45-22-11-9-20-41(45)47-46(51)28-27-40-39-19-8-10-21-44(39)52(48(40)47)37-25-23-34(24-26-37)43-30-35(32-13-4-2-5-14-32)29-42(50-43)33-15-6-3-7-16-33;1-49-36-22-26-37(27-23-36)51-45-19-11-9-17-41(45)47-46(51)29-28-40-39-16-8-10-18-44(39)52(48(40)47)38-24-20-34(21-25-38)43-31-35(32-12-4-2-5-13-32)30-42(50-43)33-14-6-3-7-15-33/h3*2-31H
InChIKeyKSCUIXGNATXKGB-UHFFFAOYSA-N
XLogP38.48
TPSA81.33 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001988.39
LogP ≤ 538.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(2-isocyanophenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(3-isocyanophenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(4-isocyanophenyl)indolo[3,2-c]carbazole with MolForge

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Related Compounds

12-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-(4-isocyanophenyl)indolo[3,2-c]carbazole
CID 140820513
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(2-isocyanophenyl)indolo[3,2-c]carbazole
CID 140820496
5-[6-(4,6-diphenyl-2-pyridinyl)naphthalen-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 155241006
12-(4-phenylphenyl)-5-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 155240814
12-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 139496601
5,7-bis(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole;12-[6-(4-isocyanophenyl)-2-pyridinyl]-5-phenylindolo[3,2-c]carbazole;7-(3-phenylphenyl)-5-(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole;7-phenyl-5-(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole
CID 159953025
3-isocyano-9-(2-isocyanophenyl)-6-[9-(4-isocyanophenyl)carbazol-1-yl]carbazole
CID 140759921
5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 158616236
12-phenyl-5-[4-[6-phenyl-2-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 139496953
12-(4-carbazol-9-ylphenyl)-5-(4,6-diphenyl-2-pyridinyl)indolo[3,2-c]carbazole
CID 144650064
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-(4-isocyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 153432171
12-[6-(2-naphthalen-2-yl-6-phenyl-4-pyridinyl)naphthalen-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 155240145

Frequently Asked Questions

What is the IUPAC name of 12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(2-isocyanophenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(3-isocyanophenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(4-isocyanophenyl)indolo[3,2-c]carbazole?
The IUPAC name of 12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(2-isocyanophenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(3-isocyanophenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(4-isocyanophenyl)indolo[3,2-c]carbazole (CID 159224531) is 12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(2-isocyanophenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(3-isocyanophenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(4-isocyanophenyl)indolo[3,2-c]carbazole.
What is the SMILES notation for 12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(2-isocyanophenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(3-isocyanophenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(4-isocyanophenyl)indolo[3,2-c]carbazole?
The canonical SMILES for 12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(2-isocyanophenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(3-isocyanophenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(4-isocyanophenyl)indolo[3,2-c]carbazole is [C-]#[N+]c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)c23)cc1.[C-]#[N+]c1cccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)c23)c1.[C-]#[N+]c1ccccc1-n1c2ccccc2c2c1ccc1c3ccccc3n(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)c12.
What is the InChIKey of 12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(2-isocyanophenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(3-isocyanophenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(4-isocyanophenyl)indolo[3,2-c]carbazole?
The InChIKey is KSCUIXGNATXKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C48H30N4/c1-49-40-20-10-13-23-45(40)52-44-22-12-9-19-39(44)47-46(52)29-28-38-37-18-8-11-21-43(37)51(48(38)47)36-26-24-34(25-27-36)42-31-35(32-14-4-2-5-15-32)30-41(50-42)33-16-6-3-7-17-33;1-49-36-17-12-18-38(31-36)51-45-22-11-9-20-41(45)47-46(51)28-27-40-39-19-8-10-21-44(39)52(48(40)47)37-25-23-34(24-26-37)43-30-35(32-13-4-2-5-14-32)29-42(50-43)33-15-6-3-7-16-33;1-49-36-22-26-37(27-23-36)51-45-19-11-9-17-41(45)47-46(51)29-28-40-39-16-8-10-18-44(39)52(48(40)47)38-24-20-34(21-25-38)43-31-35(32-12-4-2-5-13-32)30-42(50-43)33-14-6-3-7-15-33/h3*2-31H.
What are the key properties of 12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(2-isocyanophenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(3-isocyanophenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(4-isocyanophenyl)indolo[3,2-c]carbazole?
12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(2-isocyanophenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(3-isocyanophenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(4-isocyanophenyl)indolo[3,2-c]carbazole has a molecular weight of 1988.39 g/mol, XLogP of 38.48, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(2-isocyanophenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(3-isocyanophenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(4-isocyanophenyl)indolo[3,2-c]carbazole is sourced from PubChem (CID 159224531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).