2-[10-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-phenyl-1,3,5-triazin-2-yl]phenanthren-3-yl]-6-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline

C106H62N12 — CID 134513581

IUPAC2-[10-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-phenyl-1,3,5-triazin-2-yl]phenanthren-3-yl]-6-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cc5c6ccccc6n(-c6nc7ccc(-c8ccc9c(-c%10nc(-c%11ccccc%11)nc(-c%11cc%12c%13ccccc%13n(-c%13nc%14ccccc%14c%14nc%15ccccc%15n%13%14)c%12c%12ccccc%11%12)n%10)cc%10ccccc%10c9c8)cc7c7nc8ccccc8n67)c5c5ccccc45)cc3)c2)cc1
InChIInChI=1S/C106H62N12/c1-4-26-63(27-5-1)71-59-92(65-28-6-2-7-29-65)107-93(60-71)66-50-48-64(49-51-66)81-61-83-76-36-17-22-44-94(76)115(98(83)78-38-14-12-34-73(78)81)106-111-89-55-53-69(57-87(89)104-109-91-43-21-25-47-97(91)118(104)106)68-52-54-75-82(56-68)72-33-11-10-32-70(72)58-85(75)101-112-100(67-30-8-3-9-31-67)113-102(114-101)86-62-84-77-37-18-23-45-95(77)116(99(84)79-39-15-13-35-74(79)86)105-110-88-41-19-16-40-80(88)103-108-90-42-20-24-46-96(90)117(103)105/h1-62H
InChIKeyCXWMXNIFLOJHTB-UHFFFAOYSA-N
MW1503.75 g/mol
LogP26.11
Rot. Bonds10

About 2-[10-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-phenyl-1,3,5-triazin-2-yl]phenanthren-3-yl]-6-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline

2-[10-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-phenyl-1,3,5-triazin-2-yl]phenanthren-3-yl]-6-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline (PubChem CID 134513581) has the molecular formula C106H62N12 and a molecular weight of 1503.75 g/mol. Its IUPAC name is 2-[10-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-phenyl-1,3,5-triazin-2-yl]phenanthren-3-yl]-6-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name2-[10-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-phenyl-1,3,5-triazin-2-yl]phenanthren-3-yl]-6-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
PubChem CID134513581
Molecular FormulaC106H62N12
Molecular Weight1503.75 g/mol
Exact Mass1502.52
IUPAC Name2-[10-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-phenyl-1,3,5-triazin-2-yl]phenanthren-3-yl]-6-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cc5c6ccccc6n(-c6nc7ccc(-c8ccc9c(-c%10nc(-c%11ccccc%11)nc(-c%11cc%12c%13ccccc%13n(-c%13nc%14ccccc%14c%14nc%15ccccc%15n%13%14)c%12c%12ccccc%11%12)n%10)cc%10ccccc%10c9c8)cc7c7nc8ccccc8n67)c5c5ccccc45)cc3)c2)cc1
InChIInChI=1S/C106H62N12/c1-4-26-63(27-5-1)71-59-92(65-28-6-2-7-29-65)107-93(60-71)66-50-48-64(49-51-66)81-61-83-76-36-17-22-44-94(76)115(98(83)78-38-14-12-34-73(78)81)106-111-89-55-53-69(57-87(89)104-109-91-43-21-25-47-97(91)118(104)106)68-52-54-75-82(56-68)72-33-11-10-32-70(72)58-85(75)101-112-100(67-30-8-3-9-31-67)113-102(114-101)86-62-84-77-37-18-23-45-95(77)116(99(84)79-39-15-13-35-74(79)86)105-110-88-41-19-16-40-80(88)103-108-90-42-20-24-46-96(90)117(103)105/h1-62H
InChIKeyCXWMXNIFLOJHTB-UHFFFAOYSA-N
XLogP26.11
TPSA121.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001503.75
LogP ≤ 526.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-[10-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-phenyl-1,3,5-triazin-2-yl]phenanthren-3-yl]-6-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[10-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-phenyl-1,3,5-triazin-2-yl]phenanthren-3-yl]-6-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 2-[10-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-phenyl-1,3,5-triazin-2-yl]phenanthren-3-yl]-6-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline (CID 134513581) is 2-[10-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-phenyl-1,3,5-triazin-2-yl]phenanthren-3-yl]-6-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 2-[10-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-phenyl-1,3,5-triazin-2-yl]phenanthren-3-yl]-6-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 2-[10-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-phenyl-1,3,5-triazin-2-yl]phenanthren-3-yl]-6-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cc5c6ccccc6n(-c6nc7ccc(-c8ccc9c(-c%10nc(-c%11ccccc%11)nc(-c%11cc%12c%13ccccc%13n(-c%13nc%14ccccc%14c%14nc%15ccccc%15n%13%14)c%12c%12ccccc%11%12)n%10)cc%10ccccc%10c9c8)cc7c7nc8ccccc8n67)c5c5ccccc45)cc3)c2)cc1.
What is the InChIKey of 2-[10-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-phenyl-1,3,5-triazin-2-yl]phenanthren-3-yl]-6-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline?
The InChIKey is CXWMXNIFLOJHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H62N12/c1-4-26-63(27-5-1)71-59-92(65-28-6-2-7-29-65)107-93(60-71)66-50-48-64(49-51-66)81-61-83-76-36-17-22-44-94(76)115(98(83)78-38-14-12-34-73(78)81)106-111-89-55-53-69(57-87(89)104-109-91-43-21-25-47-97(91)118(104)106)68-52-54-75-82(56-68)72-33-11-10-32-70(72)58-85(75)101-112-100(67-30-8-3-9-31-67)113-102(114-101)86-62-84-77-37-18-23-45-95(77)116(99(84)79-39-15-13-35-74(79)86)105-110-88-41-19-16-40-80(88)103-108-90-42-20-24-46-96(90)117(103)105/h1-62H.
What are the key properties of 2-[10-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-phenyl-1,3,5-triazin-2-yl]phenanthren-3-yl]-6-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline?
2-[10-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-phenyl-1,3,5-triazin-2-yl]phenanthren-3-yl]-6-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline has a molecular weight of 1503.75 g/mol, XLogP of 26.11, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-phenyl-1,3,5-triazin-2-yl]phenanthren-3-yl]-6-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 134513581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).