2-[4-[7-(3,5-dipyridin-2-ylphenyl)pyren-2-yl]phenyl]-7-isocyano-9-phenylcarbazole;2-isocyano-9-phenyl-7-[4-[7-(4-quinolin-8-ylphenyl)pyren-2-yl]phenyl]carbazole

C113H67N7 — CID 161445805

IUPAC2-[4-[7-(3,5-dipyridin-2-ylphenyl)pyren-2-yl]phenyl]-7-isocyano-9-phenylcarbazole;2-isocyano-9-phenyl-7-[4-[7-(4-quinolin-8-ylphenyl)pyren-2-yl]phenyl]carbazole
SMILES[C-]#[N+]c1ccc2c3ccc(-c4ccc(-c5cc6ccc7cc(-c8cc(-c9ccccn9)cc(-c9ccccn9)c8)cc8ccc(c5)c6c78)cc4)cc3n(-c3ccccc3)c2c1.[C-]#[N+]c1ccc2c3ccc(-c4ccc(-c5cc6ccc7cc(-c8ccc(-c9cccc%10cccnc9%10)cc8)cc8ccc(c5)c6c78)cc4)cc3n(-c3ccccc3)c2c1
InChIInChI=1S/C57H34N4.C56H33N3/c1-58-48-22-24-51-50-23-21-38(34-54(50)61(55(51)35-48)49-9-3-2-4-10-49)36-13-15-37(16-14-36)43-27-39-17-19-41-29-44(30-42-20-18-40(28-43)56(39)57(41)42)45-31-46(52-11-5-7-25-59-52)33-47(32-45)53-12-6-8-26-60-53;1-57-47-25-27-51-50-26-24-40(33-52(50)59(53(51)34-47)48-9-3-2-4-10-48)35-12-14-36(15-13-35)45-29-41-20-22-43-31-46(32-44-23-21-42(30-45)54(41)55(43)44)37-16-18-38(19-17-37)49-11-5-7-39-8-6-28-58-56(39)49/h2-35H;2-34H
InChIKeyVZWJLUSFBKIMHS-UHFFFAOYSA-N
MW1522.83 g/mol
LogP30.80
Rot. Bonds11

About 2-[4-[7-(3,5-dipyridin-2-ylphenyl)pyren-2-yl]phenyl]-7-isocyano-9-phenylcarbazole;2-isocyano-9-phenyl-7-[4-[7-(4-quinolin-8-ylphenyl)pyren-2-yl]phenyl]carbazole

2-[4-[7-(3,5-dipyridin-2-ylphenyl)pyren-2-yl]phenyl]-7-isocyano-9-phenylcarbazole;2-isocyano-9-phenyl-7-[4-[7-(4-quinolin-8-ylphenyl)pyren-2-yl]phenyl]carbazole (PubChem CID 161445805) has the molecular formula C113H67N7 and a molecular weight of 1522.83 g/mol. Its IUPAC name is 2-[4-[7-(3,5-dipyridin-2-ylphenyl)pyren-2-yl]phenyl]-7-isocyano-9-phenylcarbazole;2-isocyano-9-phenyl-7-[4-[7-(4-quinolin-8-ylphenyl)pyren-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name2-[4-[7-(3,5-dipyridin-2-ylphenyl)pyren-2-yl]phenyl]-7-isocyano-9-phenylcarbazole;2-isocyano-9-phenyl-7-[4-[7-(4-quinolin-8-ylphenyl)pyren-2-yl]phenyl]carbazole
PubChem CID161445805
Molecular FormulaC113H67N7
Molecular Weight1522.83 g/mol
Exact Mass1521.55
IUPAC Name2-[4-[7-(3,5-dipyridin-2-ylphenyl)pyren-2-yl]phenyl]-7-isocyano-9-phenylcarbazole;2-isocyano-9-phenyl-7-[4-[7-(4-quinolin-8-ylphenyl)pyren-2-yl]phenyl]carbazole
SMILES[C-]#[N+]c1ccc2c3ccc(-c4ccc(-c5cc6ccc7cc(-c8cc(-c9ccccn9)cc(-c9ccccn9)c8)cc8ccc(c5)c6c78)cc4)cc3n(-c3ccccc3)c2c1.[C-]#[N+]c1ccc2c3ccc(-c4ccc(-c5cc6ccc7cc(-c8ccc(-c9cccc%10cccnc9%10)cc8)cc8ccc(c5)c6c78)cc4)cc3n(-c3ccccc3)c2c1
InChIInChI=1S/C57H34N4.C56H33N3/c1-58-48-22-24-51-50-23-21-38(34-54(50)61(55(51)35-48)49-9-3-2-4-10-49)36-13-15-37(16-14-36)43-27-39-17-19-41-29-44(30-42-20-18-40(28-43)56(39)57(41)42)45-31-46(52-11-5-7-25-59-52)33-47(32-45)53-12-6-8-26-60-53;1-57-47-25-27-51-50-26-24-40(33-52(50)59(53(51)34-47)48-9-3-2-4-10-48)35-12-14-36(15-13-35)45-29-41-20-22-43-31-46(32-44-23-21-42(30-45)54(41)55(43)44)37-16-18-38(19-17-37)49-11-5-7-39-8-6-28-58-56(39)49/h2-35H;2-34H
InChIKeyVZWJLUSFBKIMHS-UHFFFAOYSA-N
XLogP30.80
TPSA57.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001522.83
LogP ≤ 530.80
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 2-[4-[7-(3,5-dipyridin-2-ylphenyl)pyren-2-yl]phenyl]-7-isocyano-9-phenylcarbazole;2-isocyano-9-phenyl-7-[4-[7-(4-quinolin-8-ylphenyl)pyren-2-yl]phenyl]carbazole with MolForge

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Related Compounds

3-[4-[7-(3,5-dipyridin-2-ylphenyl)pyren-2-yl]phenyl]-10-isocyano-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 123237366
2-isocyano-7-[4-(7-naphthalen-2-ylpyren-2-yl)phenyl]-9-phenylcarbazole
CID 140820321
2-isocyano-9-phenyl-7-(7-phenylpyren-2-yl)carbazole;2-isocyano-9-phenyl-7-pyren-2-ylcarbazole;2-isocyano-9-phenyl-7-(7-pyridin-3-ylpyren-2-yl)carbazole
CID 160942314
2-isocyano-9-phenyl-7-[6-(7-phenylpyren-2-yl)naphthalen-2-yl]carbazole
CID 123166429
5-[7-(4-isocyanophenyl)-9-phenylcarbazol-2-yl]-1,10-phenanthroline
CID 153433572
9-phenyl-2-pyridin-2-yl-6-[3-[2-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 140814524
3-isocyano-6-(3-naphthalen-1-yl-10-pyridin-2-ylanthracen-9-yl)-9-phenylcarbazole
CID 123209829
3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-8-ylphenyl)carbazole
CID 118133191
7-[9-(3,5-dipyridin-2-ylphenyl)carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 129221939
7-[9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 129221946
7-[9-(3,5-dipyridin-2-ylphenyl)carbazol-1-yl]-5-phenylpyrido[3,2-b]indole
CID 129221411
3-fluoro-6-[(6-fluoro-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole;6-[(6-isocyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-3-carbonitrile;7-[(7-isocyano-9-phenylcarbazol-2-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile;9-phenyl-3-[phenyl-(9-phenyl-6-quinolin-8-ylcarbazol-3-yl)phosphoryl]-6-quinolin-8-ylcarbazole
CID 157189690

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-(3,5-dipyridin-2-ylphenyl)pyren-2-yl]phenyl]-7-isocyano-9-phenylcarbazole;2-isocyano-9-phenyl-7-[4-[7-(4-quinolin-8-ylphenyl)pyren-2-yl]phenyl]carbazole?
The IUPAC name of 2-[4-[7-(3,5-dipyridin-2-ylphenyl)pyren-2-yl]phenyl]-7-isocyano-9-phenylcarbazole;2-isocyano-9-phenyl-7-[4-[7-(4-quinolin-8-ylphenyl)pyren-2-yl]phenyl]carbazole (CID 161445805) is 2-[4-[7-(3,5-dipyridin-2-ylphenyl)pyren-2-yl]phenyl]-7-isocyano-9-phenylcarbazole;2-isocyano-9-phenyl-7-[4-[7-(4-quinolin-8-ylphenyl)pyren-2-yl]phenyl]carbazole.
What is the SMILES notation for 2-[4-[7-(3,5-dipyridin-2-ylphenyl)pyren-2-yl]phenyl]-7-isocyano-9-phenylcarbazole;2-isocyano-9-phenyl-7-[4-[7-(4-quinolin-8-ylphenyl)pyren-2-yl]phenyl]carbazole?
The canonical SMILES for 2-[4-[7-(3,5-dipyridin-2-ylphenyl)pyren-2-yl]phenyl]-7-isocyano-9-phenylcarbazole;2-isocyano-9-phenyl-7-[4-[7-(4-quinolin-8-ylphenyl)pyren-2-yl]phenyl]carbazole is [C-]#[N+]c1ccc2c3ccc(-c4ccc(-c5cc6ccc7cc(-c8cc(-c9ccccn9)cc(-c9ccccn9)c8)cc8ccc(c5)c6c78)cc4)cc3n(-c3ccccc3)c2c1.[C-]#[N+]c1ccc2c3ccc(-c4ccc(-c5cc6ccc7cc(-c8ccc(-c9cccc%10cccnc9%10)cc8)cc8ccc(c5)c6c78)cc4)cc3n(-c3ccccc3)c2c1.
What is the InChIKey of 2-[4-[7-(3,5-dipyridin-2-ylphenyl)pyren-2-yl]phenyl]-7-isocyano-9-phenylcarbazole;2-isocyano-9-phenyl-7-[4-[7-(4-quinolin-8-ylphenyl)pyren-2-yl]phenyl]carbazole?
The InChIKey is VZWJLUSFBKIMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4.C56H33N3/c1-58-48-22-24-51-50-23-21-38(34-54(50)61(55(51)35-48)49-9-3-2-4-10-49)36-13-15-37(16-14-36)43-27-39-17-19-41-29-44(30-42-20-18-40(28-43)56(39)57(41)42)45-31-46(52-11-5-7-25-59-52)33-47(32-45)53-12-6-8-26-60-53;1-57-47-25-27-51-50-26-24-40(33-52(50)59(53(51)34-47)48-9-3-2-4-10-48)35-12-14-36(15-13-35)45-29-41-20-22-43-31-46(32-44-23-21-42(30-45)54(41)55(43)44)37-16-18-38(19-17-37)49-11-5-7-39-8-6-28-58-56(39)49/h2-35H;2-34H.
What are the key properties of 2-[4-[7-(3,5-dipyridin-2-ylphenyl)pyren-2-yl]phenyl]-7-isocyano-9-phenylcarbazole;2-isocyano-9-phenyl-7-[4-[7-(4-quinolin-8-ylphenyl)pyren-2-yl]phenyl]carbazole?
2-[4-[7-(3,5-dipyridin-2-ylphenyl)pyren-2-yl]phenyl]-7-isocyano-9-phenylcarbazole;2-isocyano-9-phenyl-7-[4-[7-(4-quinolin-8-ylphenyl)pyren-2-yl]phenyl]carbazole has a molecular weight of 1522.83 g/mol, XLogP of 30.80, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-(3,5-dipyridin-2-ylphenyl)pyren-2-yl]phenyl]-7-isocyano-9-phenylcarbazole;2-isocyano-9-phenyl-7-[4-[7-(4-quinolin-8-ylphenyl)pyren-2-yl]phenyl]carbazole is sourced from PubChem (CID 161445805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).