9-[2-[3-(4-isocyanophenyl)phenyl]-6-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[2-[4-(4-isocyanophenyl)phenyl]-6-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[6-[3-(4-isocyanophenyl)phenyl]-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[6-[4-(4-isocyanophenyl)phenyl]-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole

C188H120N16 — CID 159388704

IUPAC9-[2-[3-(4-isocyanophenyl)phenyl]-6-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[2-[4-(4-isocyanophenyl)phenyl]-6-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[6-[3-(4-isocyanophenyl)phenyl]-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[6-[4-(4-isocyanophenyl)phenyl]-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole
SMILES[C-]#[N+]c1ccc(-c2ccc(-c3cc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)nc(-c4ccccc4)n3)cc2)cc1.[C-]#[N+]c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)n3)cc2)cc1.[C-]#[N+]c1ccc(-c2cccc(-c3cc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)nc(-c4ccccc4)n3)c2)cc1.[C-]#[N+]c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)n3)c2)cc1
InChIInChI=1S/4C47H30N4/c1-48-40-24-20-34(21-25-40)36-18-11-19-39(28-36)43-31-46(50-47(49-43)35-16-9-4-10-17-35)51-44-26-22-37(32-12-5-2-6-13-32)29-41(44)42-30-38(23-27-45(42)51)33-14-7-3-8-15-33;1-48-40-24-20-34(21-25-40)36-18-11-19-39(28-36)47-49-43(35-16-9-4-10-17-35)31-46(50-47)51-44-26-22-37(32-12-5-2-6-13-32)29-41(44)42-30-38(23-27-45(42)51)33-14-7-3-8-15-33;1-48-40-25-21-35(22-26-40)34-17-19-36(20-18-34)43-31-46(50-47(49-43)37-15-9-4-10-16-37)51-44-27-23-38(32-11-5-2-6-12-32)29-41(44)42-30-39(24-28-45(42)51)33-13-7-3-8-14-33;1-48-40-25-21-35(22-26-40)34-17-19-37(20-18-34)47-49-43(36-15-9-4-10-16-36)31-46(50-47)51-44-27-23-38(32-11-5-2-6-12-32)29-41(44)42-30-39(24-28-45(42)51)33-13-7-3-8-14-33/h4*2-31H
InChIKeyLLVILVDJFRZDKB-UHFFFAOYSA-N
MW2603.14 g/mol
LogP49.84
Rot. Bonds24

About 9-[2-[3-(4-isocyanophenyl)phenyl]-6-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[2-[4-(4-isocyanophenyl)phenyl]-6-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[6-[3-(4-isocyanophenyl)phenyl]-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[6-[4-(4-isocyanophenyl)phenyl]-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole

9-[2-[3-(4-isocyanophenyl)phenyl]-6-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[2-[4-(4-isocyanophenyl)phenyl]-6-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[6-[3-(4-isocyanophenyl)phenyl]-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[6-[4-(4-isocyanophenyl)phenyl]-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole (PubChem CID 159388704) has the molecular formula C188H120N16 and a molecular weight of 2603.14 g/mol. Its IUPAC name is 9-[2-[3-(4-isocyanophenyl)phenyl]-6-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[2-[4-(4-isocyanophenyl)phenyl]-6-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[6-[3-(4-isocyanophenyl)phenyl]-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[6-[4-(4-isocyanophenyl)phenyl]-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-[2-[3-(4-isocyanophenyl)phenyl]-6-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[2-[4-(4-isocyanophenyl)phenyl]-6-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[6-[3-(4-isocyanophenyl)phenyl]-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[6-[4-(4-isocyanophenyl)phenyl]-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole
PubChem CID159388704
Molecular FormulaC188H120N16
Molecular Weight2603.14 g/mol
Exact Mass2600.99
IUPAC Name9-[2-[3-(4-isocyanophenyl)phenyl]-6-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[2-[4-(4-isocyanophenyl)phenyl]-6-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[6-[3-(4-isocyanophenyl)phenyl]-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[6-[4-(4-isocyanophenyl)phenyl]-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole
SMILES[C-]#[N+]c1ccc(-c2ccc(-c3cc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)nc(-c4ccccc4)n3)cc2)cc1.[C-]#[N+]c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)n3)cc2)cc1.[C-]#[N+]c1ccc(-c2cccc(-c3cc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)nc(-c4ccccc4)n3)c2)cc1.[C-]#[N+]c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)n3)c2)cc1
InChIInChI=1S/4C47H30N4/c1-48-40-24-20-34(21-25-40)36-18-11-19-39(28-36)43-31-46(50-47(49-43)35-16-9-4-10-17-35)51-44-26-22-37(32-12-5-2-6-13-32)29-41(44)42-30-38(23-27-45(42)51)33-14-7-3-8-15-33;1-48-40-24-20-34(21-25-40)36-18-11-19-39(28-36)47-49-43(35-16-9-4-10-17-35)31-46(50-47)51-44-26-22-37(32-12-5-2-6-13-32)29-41(44)42-30-38(23-27-45(42)51)33-14-7-3-8-15-33;1-48-40-25-21-35(22-26-40)34-17-19-36(20-18-34)43-31-46(50-47(49-43)37-15-9-4-10-16-37)51-44-27-23-38(32-11-5-2-6-12-32)29-41(44)42-30-39(24-28-45(42)51)33-13-7-3-8-14-33;1-48-40-25-21-35(22-26-40)34-17-19-37(20-18-34)47-49-43(36-15-9-4-10-16-36)31-46(50-47)51-44-27-23-38(32-11-5-2-6-12-32)29-41(44)42-30-39(24-28-45(42)51)33-13-7-3-8-14-33/h4*2-31H
InChIKeyLLVILVDJFRZDKB-UHFFFAOYSA-N
XLogP49.84
TPSA140.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002603.14
LogP ≤ 549.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 9-[2-[3-(4-isocyanophenyl)phenyl]-6-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[2-[4-(4-isocyanophenyl)phenyl]-6-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[6-[3-(4-isocyanophenyl)phenyl]-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[6-[4-(4-isocyanophenyl)phenyl]-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole with MolForge

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Related Compounds

3-[9-[2-phenyl-6-[3-[4-[4-[3-[6-phenyl-2-[3-[9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]carbazol-3-yl]-9-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole
CID 137445193
9-[6-(3,6-diphenylcarbazol-9-yl)-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]-3,6-diphenylcarbazole
CID 151530880
9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]-3-[9-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]carbazol-3-yl]carbazole
CID 126700362
3-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 146572869
9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]carbazole
CID 163788873
9-[6-(3,6-diphenylcarbazol-9-yl)-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole
CID 59330290
9-[6-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]pyrimidin-4-yl]-3-[3-[2-(4,6-diphenylpyrimidin-2-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole
CID 146379780
9-[6-(3,6-diphenylcarbazol-9-yl)-4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]-3,6-diphenylcarbazole
CID 150665244
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-isocyano-9-phenylcarbazole
CID 123235900
5-phenyl-11-[6-phenyl-2-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]indolo[3,2-b]carbazole
CID 139496867
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-isocyanocarbazole;9-(3,5-dipyridin-2-ylphenyl)-3,6-diphenylcarbazole;9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 157122451
3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-6-isocyano-9-quinolin-2-ylcarbazole
CID 123192697

Frequently Asked Questions

What is the IUPAC name of 9-[2-[3-(4-isocyanophenyl)phenyl]-6-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[2-[4-(4-isocyanophenyl)phenyl]-6-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[6-[3-(4-isocyanophenyl)phenyl]-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[6-[4-(4-isocyanophenyl)phenyl]-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole?
The IUPAC name of 9-[2-[3-(4-isocyanophenyl)phenyl]-6-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[2-[4-(4-isocyanophenyl)phenyl]-6-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[6-[3-(4-isocyanophenyl)phenyl]-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[6-[4-(4-isocyanophenyl)phenyl]-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole (CID 159388704) is 9-[2-[3-(4-isocyanophenyl)phenyl]-6-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[2-[4-(4-isocyanophenyl)phenyl]-6-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[6-[3-(4-isocyanophenyl)phenyl]-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[6-[4-(4-isocyanophenyl)phenyl]-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole.
What is the SMILES notation for 9-[2-[3-(4-isocyanophenyl)phenyl]-6-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[2-[4-(4-isocyanophenyl)phenyl]-6-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[6-[3-(4-isocyanophenyl)phenyl]-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[6-[4-(4-isocyanophenyl)phenyl]-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole?
The canonical SMILES for 9-[2-[3-(4-isocyanophenyl)phenyl]-6-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[2-[4-(4-isocyanophenyl)phenyl]-6-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[6-[3-(4-isocyanophenyl)phenyl]-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[6-[4-(4-isocyanophenyl)phenyl]-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole is [C-]#[N+]c1ccc(-c2ccc(-c3cc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)nc(-c4ccccc4)n3)cc2)cc1.[C-]#[N+]c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)n3)cc2)cc1.[C-]#[N+]c1ccc(-c2cccc(-c3cc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)nc(-c4ccccc4)n3)c2)cc1.[C-]#[N+]c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)n3)c2)cc1.
What is the InChIKey of 9-[2-[3-(4-isocyanophenyl)phenyl]-6-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[2-[4-(4-isocyanophenyl)phenyl]-6-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[6-[3-(4-isocyanophenyl)phenyl]-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[6-[4-(4-isocyanophenyl)phenyl]-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole?
The InChIKey is LLVILVDJFRZDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/4C47H30N4/c1-48-40-24-20-34(21-25-40)36-18-11-19-39(28-36)43-31-46(50-47(49-43)35-16-9-4-10-17-35)51-44-26-22-37(32-12-5-2-6-13-32)29-41(44)42-30-38(23-27-45(42)51)33-14-7-3-8-15-33;1-48-40-24-20-34(21-25-40)36-18-11-19-39(28-36)47-49-43(35-16-9-4-10-17-35)31-46(50-47)51-44-26-22-37(32-12-5-2-6-13-32)29-41(44)42-30-38(23-27-45(42)51)33-14-7-3-8-15-33;1-48-40-25-21-35(22-26-40)34-17-19-36(20-18-34)43-31-46(50-47(49-43)37-15-9-4-10-16-37)51-44-27-23-38(32-11-5-2-6-12-32)29-41(44)42-30-39(24-28-45(42)51)33-13-7-3-8-14-33;1-48-40-25-21-35(22-26-40)34-17-19-37(20-18-34)47-49-43(36-15-9-4-10-16-36)31-46(50-47)51-44-27-23-38(32-11-5-2-6-12-32)29-41(44)42-30-39(24-28-45(42)51)33-13-7-3-8-14-33/h4*2-31H.
What are the key properties of 9-[2-[3-(4-isocyanophenyl)phenyl]-6-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[2-[4-(4-isocyanophenyl)phenyl]-6-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[6-[3-(4-isocyanophenyl)phenyl]-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[6-[4-(4-isocyanophenyl)phenyl]-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole?
9-[2-[3-(4-isocyanophenyl)phenyl]-6-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[2-[4-(4-isocyanophenyl)phenyl]-6-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[6-[3-(4-isocyanophenyl)phenyl]-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[6-[4-(4-isocyanophenyl)phenyl]-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole has a molecular weight of 2603.14 g/mol, XLogP of 49.84, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[3-(4-isocyanophenyl)phenyl]-6-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[2-[4-(4-isocyanophenyl)phenyl]-6-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[6-[3-(4-isocyanophenyl)phenyl]-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole;9-[6-[4-(4-isocyanophenyl)phenyl]-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole is sourced from PubChem (CID 159388704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).