3-(6-chrysen-6-ylnaphthalen-2-yl)-6-isocyano-9-phenylcarbazole;3-isocyano-6-[5-(12-naphthalen-1-ylchrysen-6-yl)-2-pyridinyl]-9-phenylcarbazole;3-isocyano-9-phenyl-6-[5-(12-phenylchrysen-6-yl)-2-pyridinyl]carbazole

C147H88N8 — CID 158371140

IUPAC3-(6-chrysen-6-ylnaphthalen-2-yl)-6-isocyano-9-phenylcarbazole;3-isocyano-6-[5-(12-naphthalen-1-ylchrysen-6-yl)-2-pyridinyl]-9-phenylcarbazole;3-isocyano-9-phenyl-6-[5-(12-phenylchrysen-6-yl)-2-pyridinyl]carbazole
SMILES[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc(-c4cc5c6ccccc6c(-c6cccc7ccccc67)cc5c5ccccc45)cn3)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc(-c4cc5c6ccccc6c(-c6ccccc6)cc5c5ccccc45)cn3)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc4cc(-c5cc6c7ccccc7ccc6c6ccccc56)ccc4c3)ccc1n2-c1ccccc1
InChIInChI=1S/C52H31N3.C48H29N3.C47H28N2/c1-53-36-24-27-52-49(29-36)48-28-34(23-26-51(48)55(52)37-14-3-2-4-15-37)50-25-22-35(32-54-50)44-30-46-43-20-10-9-19-42(43)45(31-47(46)41-18-8-7-17-40(41)44)39-21-11-13-33-12-5-6-16-38(33)39;1-49-34-22-25-48-45(27-34)44-26-32(21-24-47(44)51(48)35-14-6-3-7-15-35)46-23-20-33(30-50-46)41-29-43-38-18-10-8-16-36(38)40(31-12-4-2-5-13-31)28-42(43)39-19-11-9-17-37(39)41;1-48-36-21-24-47-45(28-36)44-27-34(20-23-46(44)49(47)37-10-3-2-4-11-37)32-15-16-33-26-35(18-17-31(33)25-32)42-29-43-38-12-6-5-9-30(38)19-22-41(43)39-13-7-8-14-40(39)42/h2-32H;2-30H;2-29H
InChIKeyGUPXLWYLWHSEOZ-UHFFFAOYSA-N
MW1966.38 g/mol
LogP40.81
Rot. Bonds11

About 3-(6-chrysen-6-ylnaphthalen-2-yl)-6-isocyano-9-phenylcarbazole;3-isocyano-6-[5-(12-naphthalen-1-ylchrysen-6-yl)-2-pyridinyl]-9-phenylcarbazole;3-isocyano-9-phenyl-6-[5-(12-phenylchrysen-6-yl)-2-pyridinyl]carbazole

3-(6-chrysen-6-ylnaphthalen-2-yl)-6-isocyano-9-phenylcarbazole;3-isocyano-6-[5-(12-naphthalen-1-ylchrysen-6-yl)-2-pyridinyl]-9-phenylcarbazole;3-isocyano-9-phenyl-6-[5-(12-phenylchrysen-6-yl)-2-pyridinyl]carbazole (PubChem CID 158371140) has the molecular formula C147H88N8 and a molecular weight of 1966.38 g/mol. Its IUPAC name is 3-(6-chrysen-6-ylnaphthalen-2-yl)-6-isocyano-9-phenylcarbazole;3-isocyano-6-[5-(12-naphthalen-1-ylchrysen-6-yl)-2-pyridinyl]-9-phenylcarbazole;3-isocyano-9-phenyl-6-[5-(12-phenylchrysen-6-yl)-2-pyridinyl]carbazole.

Molecular Properties

Compound Name3-(6-chrysen-6-ylnaphthalen-2-yl)-6-isocyano-9-phenylcarbazole;3-isocyano-6-[5-(12-naphthalen-1-ylchrysen-6-yl)-2-pyridinyl]-9-phenylcarbazole;3-isocyano-9-phenyl-6-[5-(12-phenylchrysen-6-yl)-2-pyridinyl]carbazole
PubChem CID158371140
Molecular FormulaC147H88N8
Molecular Weight1966.38 g/mol
Exact Mass1964.71
IUPAC Name3-(6-chrysen-6-ylnaphthalen-2-yl)-6-isocyano-9-phenylcarbazole;3-isocyano-6-[5-(12-naphthalen-1-ylchrysen-6-yl)-2-pyridinyl]-9-phenylcarbazole;3-isocyano-9-phenyl-6-[5-(12-phenylchrysen-6-yl)-2-pyridinyl]carbazole
SMILES[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc(-c4cc5c6ccccc6c(-c6cccc7ccccc67)cc5c5ccccc45)cn3)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc(-c4cc5c6ccccc6c(-c6ccccc6)cc5c5ccccc45)cn3)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc4cc(-c5cc6c7ccccc7ccc6c6ccccc56)ccc4c3)ccc1n2-c1ccccc1
InChIInChI=1S/C52H31N3.C48H29N3.C47H28N2/c1-53-36-24-27-52-49(29-36)48-28-34(23-26-51(48)55(52)37-14-3-2-4-15-37)50-25-22-35(32-54-50)44-30-46-43-20-10-9-19-42(43)45(31-47(46)41-18-8-7-17-40(41)44)39-21-11-13-33-12-5-6-16-38(33)39;1-49-34-22-25-48-45(27-34)44-26-32(21-24-47(44)51(48)35-14-6-3-7-15-35)46-23-20-33(30-50-46)41-29-43-38-18-10-8-16-36(38)40(31-12-4-2-5-13-31)28-42(43)39-19-11-9-17-37(39)41;1-48-36-21-24-47-45(28-36)44-27-34(20-23-46(44)49(47)37-10-3-2-4-11-37)32-15-16-33-26-35(18-17-31(33)25-32)42-29-43-38-12-6-5-9-30(38)19-22-41(43)39-13-7-8-14-40(39)42/h2-32H;2-30H;2-29H
InChIKeyGUPXLWYLWHSEOZ-UHFFFAOYSA-N
XLogP40.81
TPSA53.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms155
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001966.38
LogP ≤ 540.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-(6-chrysen-6-ylnaphthalen-2-yl)-6-isocyano-9-phenylcarbazole;3-isocyano-6-[5-(12-naphthalen-1-ylchrysen-6-yl)-2-pyridinyl]-9-phenylcarbazole;3-isocyano-9-phenyl-6-[5-(12-phenylchrysen-6-yl)-2-pyridinyl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ellipticine, 6-methyl
CID 97109
3-(5,11-dimethylpyrido[4,3-b]carbazol-6-yl)-N,N-dimethylpropan-1-amine
CID 44275800
2-(5,11-dimethylpyrido[4,3-b]carbazol-6-yl)-N,N-diethylethanamine
CID 44275802
5,11-Dimethyl-6-(2-piperidin-1-ylethyl)pyrido[4,3-b]carbazole
CID 44275816
4-(6-Benzo[f]quinolin-4-ium-4-ylhexyl)benzo[f]quinolin-4-ium dibromide
CID 85914657
N-benzyl-6-(5,11-dimethylpyrido[4,3-b]carbazol-6-yl)hexan-1-amine
CID 4303691
9-(Naphthalen-2-ylmethyl)-1-pyridin-2-ylpyrido[3,4-b]indole
CID 147630103
6H-Pyrido[4,3-b]carbazole, 5,11-dimethyl-6-(2-propenyl)-
CID 289172
6,11-Dimethylpyrido[4,3-b]carbazole
CID 127033765
2,6,11-Trimethylpyrido[4,3-b]carbazol-2-ium iodide
CID 127033766
1-Methyl-3-[10-(1-methylquinolin-1-ium-3-yl)anthracen-9-yl]quinolin-1-ium
CID 156021800
2-(1-Butylindol-6-yl)-5,10-dimethylphenanthridin-5-ium chloride
CID 164609682

Frequently Asked Questions

What is the IUPAC name of 3-(6-chrysen-6-ylnaphthalen-2-yl)-6-isocyano-9-phenylcarbazole;3-isocyano-6-[5-(12-naphthalen-1-ylchrysen-6-yl)-2-pyridinyl]-9-phenylcarbazole;3-isocyano-9-phenyl-6-[5-(12-phenylchrysen-6-yl)-2-pyridinyl]carbazole?
The IUPAC name of 3-(6-chrysen-6-ylnaphthalen-2-yl)-6-isocyano-9-phenylcarbazole;3-isocyano-6-[5-(12-naphthalen-1-ylchrysen-6-yl)-2-pyridinyl]-9-phenylcarbazole;3-isocyano-9-phenyl-6-[5-(12-phenylchrysen-6-yl)-2-pyridinyl]carbazole (CID 158371140) is 3-(6-chrysen-6-ylnaphthalen-2-yl)-6-isocyano-9-phenylcarbazole;3-isocyano-6-[5-(12-naphthalen-1-ylchrysen-6-yl)-2-pyridinyl]-9-phenylcarbazole;3-isocyano-9-phenyl-6-[5-(12-phenylchrysen-6-yl)-2-pyridinyl]carbazole.
What is the SMILES notation for 3-(6-chrysen-6-ylnaphthalen-2-yl)-6-isocyano-9-phenylcarbazole;3-isocyano-6-[5-(12-naphthalen-1-ylchrysen-6-yl)-2-pyridinyl]-9-phenylcarbazole;3-isocyano-9-phenyl-6-[5-(12-phenylchrysen-6-yl)-2-pyridinyl]carbazole?
The canonical SMILES for 3-(6-chrysen-6-ylnaphthalen-2-yl)-6-isocyano-9-phenylcarbazole;3-isocyano-6-[5-(12-naphthalen-1-ylchrysen-6-yl)-2-pyridinyl]-9-phenylcarbazole;3-isocyano-9-phenyl-6-[5-(12-phenylchrysen-6-yl)-2-pyridinyl]carbazole is [C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc(-c4cc5c6ccccc6c(-c6cccc7ccccc67)cc5c5ccccc45)cn3)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc(-c4cc5c6ccccc6c(-c6ccccc6)cc5c5ccccc45)cn3)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc4cc(-c5cc6c7ccccc7ccc6c6ccccc56)ccc4c3)ccc1n2-c1ccccc1.
What is the InChIKey of 3-(6-chrysen-6-ylnaphthalen-2-yl)-6-isocyano-9-phenylcarbazole;3-isocyano-6-[5-(12-naphthalen-1-ylchrysen-6-yl)-2-pyridinyl]-9-phenylcarbazole;3-isocyano-9-phenyl-6-[5-(12-phenylchrysen-6-yl)-2-pyridinyl]carbazole?
The InChIKey is GUPXLWYLWHSEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N3.C48H29N3.C47H28N2/c1-53-36-24-27-52-49(29-36)48-28-34(23-26-51(48)55(52)37-14-3-2-4-15-37)50-25-22-35(32-54-50)44-30-46-43-20-10-9-19-42(43)45(31-47(46)41-18-8-7-17-40(41)44)39-21-11-13-33-12-5-6-16-38(33)39;1-49-34-22-25-48-45(27-34)44-26-32(21-24-47(44)51(48)35-14-6-3-7-15-35)46-23-20-33(30-50-46)41-29-43-38-18-10-8-16-36(38)40(31-12-4-2-5-13-31)28-42(43)39-19-11-9-17-37(39)41;1-48-36-21-24-47-45(28-36)44-27-34(20-23-46(44)49(47)37-10-3-2-4-11-37)32-15-16-33-26-35(18-17-31(33)25-32)42-29-43-38-12-6-5-9-30(38)19-22-41(43)39-13-7-8-14-40(39)42/h2-32H;2-30H;2-29H.
What are the key properties of 3-(6-chrysen-6-ylnaphthalen-2-yl)-6-isocyano-9-phenylcarbazole;3-isocyano-6-[5-(12-naphthalen-1-ylchrysen-6-yl)-2-pyridinyl]-9-phenylcarbazole;3-isocyano-9-phenyl-6-[5-(12-phenylchrysen-6-yl)-2-pyridinyl]carbazole?
3-(6-chrysen-6-ylnaphthalen-2-yl)-6-isocyano-9-phenylcarbazole;3-isocyano-6-[5-(12-naphthalen-1-ylchrysen-6-yl)-2-pyridinyl]-9-phenylcarbazole;3-isocyano-9-phenyl-6-[5-(12-phenylchrysen-6-yl)-2-pyridinyl]carbazole has a molecular weight of 1966.38 g/mol, XLogP of 40.81, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chrysen-6-ylnaphthalen-2-yl)-6-isocyano-9-phenylcarbazole;3-isocyano-6-[5-(12-naphthalen-1-ylchrysen-6-yl)-2-pyridinyl]-9-phenylcarbazole;3-isocyano-9-phenyl-6-[5-(12-phenylchrysen-6-yl)-2-pyridinyl]carbazole is sourced from PubChem (CID 158371140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).