9-[(Z)-3-[6-methyl-3-[3-[(2Z,4Z)-2-pyridin-2-ylhepta-2,4,6-trien-3-yl]carbazol-9-yl]-9H-cyclohepta[a]naphthalen-5-yl]prop-2-enyl]-3-(2-pyridin-2-ylphenyl)carbazole

C66H50N4 — CID 144541038

IUPAC9-[(Z)-3-[6-methyl-3-[3-[(2Z,4Z)-2-pyridin-2-ylhepta-2,4,6-trien-3-yl]carbazol-9-yl]-9H-cyclohepta[a]naphthalen-5-yl]prop-2-enyl]-3-(2-pyridin-2-ylphenyl)carbazole
SMILESC=C/C=C\C(=C(/C)c1ccccn1)c1ccc2c(c1)c1ccccc1n2-c1ccc2c3c(c(C)c(/C=C\Cn4c5ccccc5c5cc(-c6ccccc6-c6ccccn6)ccc54)c2c1)C=CCC=C3
InChIInChI=1S/C66H50N4/c1-4-5-20-49(45(3)61-28-15-17-38-67-61)46-33-37-66-60(41-46)57-26-12-14-31-65(57)70(66)48-34-35-54-53-23-8-6-7-21-50(53)44(2)51(58(54)43-48)27-19-40-69-63-30-13-11-25-56(63)59-42-47(32-36-64(59)69)52-22-9-10-24-55(52)62-29-16-18-39-68-62/h4-5,7-39,41-43H,1,6,40H2,2-3H3/b20-5-,27-19-,49-45-
InChIKeyQSNOYPGAUWWKDL-SXXHEECWSA-N
MW899.15 g/mol
LogP17.29
Rot. Bonds10

About 9-[(Z)-3-[6-methyl-3-[3-[(2Z,4Z)-2-pyridin-2-ylhepta-2,4,6-trien-3-yl]carbazol-9-yl]-9H-cyclohepta[a]naphthalen-5-yl]prop-2-enyl]-3-(2-pyridin-2-ylphenyl)carbazole

9-[(Z)-3-[6-methyl-3-[3-[(2Z,4Z)-2-pyridin-2-ylhepta-2,4,6-trien-3-yl]carbazol-9-yl]-9H-cyclohepta[a]naphthalen-5-yl]prop-2-enyl]-3-(2-pyridin-2-ylphenyl)carbazole (PubChem CID 144541038) has the molecular formula C66H50N4 and a molecular weight of 899.15 g/mol. Its IUPAC name is 9-[(Z)-3-[6-methyl-3-[3-[(2Z,4Z)-2-pyridin-2-ylhepta-2,4,6-trien-3-yl]carbazol-9-yl]-9H-cyclohepta[a]naphthalen-5-yl]prop-2-enyl]-3-(2-pyridin-2-ylphenyl)carbazole.

Molecular Properties

Compound Name9-[(Z)-3-[6-methyl-3-[3-[(2Z,4Z)-2-pyridin-2-ylhepta-2,4,6-trien-3-yl]carbazol-9-yl]-9H-cyclohepta[a]naphthalen-5-yl]prop-2-enyl]-3-(2-pyridin-2-ylphenyl)carbazole
PubChem CID144541038
Molecular FormulaC66H50N4
Molecular Weight899.15 g/mol
Exact Mass898.40
IUPAC Name9-[(Z)-3-[6-methyl-3-[3-[(2Z,4Z)-2-pyridin-2-ylhepta-2,4,6-trien-3-yl]carbazol-9-yl]-9H-cyclohepta[a]naphthalen-5-yl]prop-2-enyl]-3-(2-pyridin-2-ylphenyl)carbazole
SMILESC=C/C=C\C(=C(/C)c1ccccn1)c1ccc2c(c1)c1ccccc1n2-c1ccc2c3c(c(C)c(/C=C\Cn4c5ccccc5c5cc(-c6ccccc6-c6ccccn6)ccc54)c2c1)C=CCC=C3
InChIInChI=1S/C66H50N4/c1-4-5-20-49(45(3)61-28-15-17-38-67-61)46-33-37-66-60(41-46)57-26-12-14-31-65(57)70(66)48-34-35-54-53-23-8-6-7-21-50(53)44(2)51(58(54)43-48)27-19-40-69-63-30-13-11-25-56(63)59-42-47(32-36-64(59)69)52-22-9-10-24-55(52)62-29-16-18-39-68-62/h4-5,7-39,41-43H,1,6,40H2,2-3H3/b20-5-,27-19-,49-45-
InChIKeyQSNOYPGAUWWKDL-SXXHEECWSA-N
XLogP17.29
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.15
LogP ≤ 517.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-[(Z)-3-[6-methyl-3-[3-[(2Z,4Z)-2-pyridin-2-ylhepta-2,4,6-trien-3-yl]carbazol-9-yl]-9H-cyclohepta[a]naphthalen-5-yl]prop-2-enyl]-3-(2-pyridin-2-ylphenyl)carbazole with MolForge

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Related Compounds

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3-carbazol-9-yl-9-(3-carbazol-9-yl-5-pyridin-2-ylphenyl)carbazole
CID 155770026
5-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;ethene
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9-(7,8-dipyridin-2-yldibenzofuran-2-yl)-3,6-bis(2-pyridin-2-ylphenyl)carbazole;methanamine;pyridine
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3,6-di(carbazol-9-yl)-9-[2-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole
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3-[9-[21-[(1Z)-buta-1,3-dienyl]-22-methyl-4-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15,17,19,21-undecaenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90352520
3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole
CID 138578689

Frequently Asked Questions

What is the IUPAC name of 9-[(Z)-3-[6-methyl-3-[3-[(2Z,4Z)-2-pyridin-2-ylhepta-2,4,6-trien-3-yl]carbazol-9-yl]-9H-cyclohepta[a]naphthalen-5-yl]prop-2-enyl]-3-(2-pyridin-2-ylphenyl)carbazole?
The IUPAC name of 9-[(Z)-3-[6-methyl-3-[3-[(2Z,4Z)-2-pyridin-2-ylhepta-2,4,6-trien-3-yl]carbazol-9-yl]-9H-cyclohepta[a]naphthalen-5-yl]prop-2-enyl]-3-(2-pyridin-2-ylphenyl)carbazole (CID 144541038) is 9-[(Z)-3-[6-methyl-3-[3-[(2Z,4Z)-2-pyridin-2-ylhepta-2,4,6-trien-3-yl]carbazol-9-yl]-9H-cyclohepta[a]naphthalen-5-yl]prop-2-enyl]-3-(2-pyridin-2-ylphenyl)carbazole.
What is the SMILES notation for 9-[(Z)-3-[6-methyl-3-[3-[(2Z,4Z)-2-pyridin-2-ylhepta-2,4,6-trien-3-yl]carbazol-9-yl]-9H-cyclohepta[a]naphthalen-5-yl]prop-2-enyl]-3-(2-pyridin-2-ylphenyl)carbazole?
The canonical SMILES for 9-[(Z)-3-[6-methyl-3-[3-[(2Z,4Z)-2-pyridin-2-ylhepta-2,4,6-trien-3-yl]carbazol-9-yl]-9H-cyclohepta[a]naphthalen-5-yl]prop-2-enyl]-3-(2-pyridin-2-ylphenyl)carbazole is C=C/C=C\C(=C(/C)c1ccccn1)c1ccc2c(c1)c1ccccc1n2-c1ccc2c3c(c(C)c(/C=C\Cn4c5ccccc5c5cc(-c6ccccc6-c6ccccn6)ccc54)c2c1)C=CCC=C3.
What is the InChIKey of 9-[(Z)-3-[6-methyl-3-[3-[(2Z,4Z)-2-pyridin-2-ylhepta-2,4,6-trien-3-yl]carbazol-9-yl]-9H-cyclohepta[a]naphthalen-5-yl]prop-2-enyl]-3-(2-pyridin-2-ylphenyl)carbazole?
The InChIKey is QSNOYPGAUWWKDL-SXXHEECWSA-N. The full InChI is InChI=1S/C66H50N4/c1-4-5-20-49(45(3)61-28-15-17-38-67-61)46-33-37-66-60(41-46)57-26-12-14-31-65(57)70(66)48-34-35-54-53-23-8-6-7-21-50(53)44(2)51(58(54)43-48)27-19-40-69-63-30-13-11-25-56(63)59-42-47(32-36-64(59)69)52-22-9-10-24-55(52)62-29-16-18-39-68-62/h4-5,7-39,41-43H,1,6,40H2,2-3H3/b20-5-,27-19-,49-45-.
What are the key properties of 9-[(Z)-3-[6-methyl-3-[3-[(2Z,4Z)-2-pyridin-2-ylhepta-2,4,6-trien-3-yl]carbazol-9-yl]-9H-cyclohepta[a]naphthalen-5-yl]prop-2-enyl]-3-(2-pyridin-2-ylphenyl)carbazole?
9-[(Z)-3-[6-methyl-3-[3-[(2Z,4Z)-2-pyridin-2-ylhepta-2,4,6-trien-3-yl]carbazol-9-yl]-9H-cyclohepta[a]naphthalen-5-yl]prop-2-enyl]-3-(2-pyridin-2-ylphenyl)carbazole has a molecular weight of 899.15 g/mol, XLogP of 17.29, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(Z)-3-[6-methyl-3-[3-[(2Z,4Z)-2-pyridin-2-ylhepta-2,4,6-trien-3-yl]carbazol-9-yl]-9H-cyclohepta[a]naphthalen-5-yl]prop-2-enyl]-3-(2-pyridin-2-ylphenyl)carbazole is sourced from PubChem (CID 144541038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).