9-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-N-[4-[4-[N-(4-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-yl)-4-(2-methylcyclohex-3-en-1-yl)anilino]cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]carbazol-2-amine

C67H69N3 — CID 175611212

IUPAC9-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-N-[4-[4-[N-(4-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-yl)-4-(2-methylcyclohex-3-en-1-yl)anilino]cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]carbazol-2-amine
SMILESCC1C=CCCC1c1ccc(N(C2=CCC(C3C=CC(N(C4=CCC(C5=CCCC=C5)C=C4)c4ccc5c6ccccc6n(C6=CCCC=C6)c5c4)=CC3)C=C2)C2C=CC(C3C=CC=CC3)CC2)cc1
InChIInChI=1S/C67H69N3/c1-48-15-11-12-22-63(48)55-33-43-59(44-34-55)68(57-35-25-51(26-36-57)49-16-5-2-6-17-49)58-37-29-53(30-38-58)54-31-41-61(42-32-54)69(60-39-27-52(28-40-60)50-18-7-3-8-19-50)62-45-46-65-64-23-13-14-24-66(64)70(67(65)47-62)56-20-9-4-10-21-56/h2,5-7,9,11,13-16,18-21,23-25,27,29,31,33-35,37-49,51-54,57,63H,3-4,8,10,12,17,22,26,28,30,32,36H2,1H3
InChIKeyKLYCCTNQXXEPGZ-UHFFFAOYSA-N
MW916.31 g/mol
LogP17.49
Rot. Bonds11

About 9-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-N-[4-[4-[N-(4-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-yl)-4-(2-methylcyclohex-3-en-1-yl)anilino]cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]carbazol-2-amine

9-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-N-[4-[4-[N-(4-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-yl)-4-(2-methylcyclohex-3-en-1-yl)anilino]cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]carbazol-2-amine (PubChem CID 175611212) has the molecular formula C67H69N3 and a molecular weight of 916.31 g/mol. Its IUPAC name is 9-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-N-[4-[4-[N-(4-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-yl)-4-(2-methylcyclohex-3-en-1-yl)anilino]cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]carbazol-2-amine.

Molecular Properties

Compound Name9-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-N-[4-[4-[N-(4-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-yl)-4-(2-methylcyclohex-3-en-1-yl)anilino]cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]carbazol-2-amine
PubChem CID175611212
Molecular FormulaC67H69N3
Molecular Weight916.31 g/mol
Exact Mass915.55
IUPAC Name9-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-N-[4-[4-[N-(4-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-yl)-4-(2-methylcyclohex-3-en-1-yl)anilino]cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]carbazol-2-amine
SMILESCC1C=CCCC1c1ccc(N(C2=CCC(C3C=CC(N(C4=CCC(C5=CCCC=C5)C=C4)c4ccc5c6ccccc6n(C6=CCCC=C6)c5c4)=CC3)C=C2)C2C=CC(C3C=CC=CC3)CC2)cc1
InChIInChI=1S/C67H69N3/c1-48-15-11-12-22-63(48)55-33-43-59(44-34-55)68(57-35-25-51(26-36-57)49-16-5-2-6-17-49)58-37-29-53(30-38-58)54-31-41-61(42-32-54)69(60-39-27-52(28-40-60)50-18-7-3-8-19-50)62-45-46-65-64-23-13-14-24-66(64)70(67(65)47-62)56-20-9-4-10-21-56/h2,5-7,9,11,13-16,18-21,23-25,27,29,31,33-35,37-49,51-54,57,63H,3-4,8,10,12,17,22,26,28,30,32,36H2,1H3
InChIKeyKLYCCTNQXXEPGZ-UHFFFAOYSA-N
XLogP17.49
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500916.31
LogP ≤ 517.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-N-[4-[4-[N-(4-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-yl)-4-(2-methylcyclohex-3-en-1-yl)anilino]cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]carbazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-N-[4-[4-[N-(4-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-yl)-4-(2-methylcyclohex-3-en-1-yl)anilino]cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]carbazol-2-amine?
The IUPAC name of 9-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-N-[4-[4-[N-(4-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-yl)-4-(2-methylcyclohex-3-en-1-yl)anilino]cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]carbazol-2-amine (CID 175611212) is 9-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-N-[4-[4-[N-(4-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-yl)-4-(2-methylcyclohex-3-en-1-yl)anilino]cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]carbazol-2-amine.
What is the SMILES notation for 9-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-N-[4-[4-[N-(4-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-yl)-4-(2-methylcyclohex-3-en-1-yl)anilino]cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]carbazol-2-amine?
The canonical SMILES for 9-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-N-[4-[4-[N-(4-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-yl)-4-(2-methylcyclohex-3-en-1-yl)anilino]cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]carbazol-2-amine is CC1C=CCCC1c1ccc(N(C2=CCC(C3C=CC(N(C4=CCC(C5=CCCC=C5)C=C4)c4ccc5c6ccccc6n(C6=CCCC=C6)c5c4)=CC3)C=C2)C2C=CC(C3C=CC=CC3)CC2)cc1.
What is the InChIKey of 9-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-N-[4-[4-[N-(4-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-yl)-4-(2-methylcyclohex-3-en-1-yl)anilino]cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]carbazol-2-amine?
The InChIKey is KLYCCTNQXXEPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H69N3/c1-48-15-11-12-22-63(48)55-33-43-59(44-34-55)68(57-35-25-51(26-36-57)49-16-5-2-6-17-49)58-37-29-53(30-38-58)54-31-41-61(42-32-54)69(60-39-27-52(28-40-60)50-18-7-3-8-19-50)62-45-46-65-64-23-13-14-24-66(64)70(67(65)47-62)56-20-9-4-10-21-56/h2,5-7,9,11,13-16,18-21,23-25,27,29,31,33-35,37-49,51-54,57,63H,3-4,8,10,12,17,22,26,28,30,32,36H2,1H3.
What are the key properties of 9-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-N-[4-[4-[N-(4-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-yl)-4-(2-methylcyclohex-3-en-1-yl)anilino]cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]carbazol-2-amine?
9-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-N-[4-[4-[N-(4-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-yl)-4-(2-methylcyclohex-3-en-1-yl)anilino]cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]carbazol-2-amine has a molecular weight of 916.31 g/mol, XLogP of 17.49, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-N-[4-[4-[N-(4-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-yl)-4-(2-methylcyclohex-3-en-1-yl)anilino]cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]carbazol-2-amine is sourced from PubChem (CID 175611212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).