1-[3-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline

C106H62N14 — CID 134513736

IUPAC1-[3-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc5c6ccccc6n(-c6nc7cccc(-c8cccc(-c9nc(-c%10ccc%11ccccc%11c%10)nc(-c%10cc%11c%12ccccc%12n(-c%12nc%13ccccc%13c%13nc%14ccccc%14n%12%13)c%11c%11ccccc%10%11)n9)c8)c7c7nc8ccccc8n67)c5c5ccccc45)n3)cc2)cc1
InChIInChI=1S/C106H62N14/c1-3-25-63(26-4-1)66-49-54-68(55-50-66)97-111-98(69-56-51-67(52-57-69)64-27-5-2-6-28-64)114-101(113-97)84-61-83-78-36-15-20-46-91(78)118(96(83)80-38-12-9-33-75(80)84)106-110-89-44-24-40-74(94(89)104-108-88-43-18-22-48-93(88)120(104)106)71-31-23-32-72(60-71)99-112-100(73-58-53-65-29-7-8-30-70(65)59-73)116-102(115-99)85-62-82-77-35-14-19-45-90(77)117(95(82)79-37-11-10-34-76(79)85)105-109-86-41-16-13-39-81(86)103-107-87-42-17-21-47-92(87)119(103)105/h1-62H
InChIKeyMLOLSCHNDGQHSN-UHFFFAOYSA-N
MW1531.76 g/mol
LogP25.41
Rot. Bonds11

About 1-[3-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline

1-[3-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline (PubChem CID 134513736) has the molecular formula C106H62N14 and a molecular weight of 1531.76 g/mol. Its IUPAC name is 1-[3-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name1-[3-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
PubChem CID134513736
Molecular FormulaC106H62N14
Molecular Weight1531.76 g/mol
Exact Mass1530.53
IUPAC Name1-[3-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc5c6ccccc6n(-c6nc7cccc(-c8cccc(-c9nc(-c%10ccc%11ccccc%11c%10)nc(-c%10cc%11c%12ccccc%12n(-c%12nc%13ccccc%13c%13nc%14ccccc%14n%12%13)c%11c%11ccccc%10%11)n9)c8)c7c7nc8ccccc8n67)c5c5ccccc45)n3)cc2)cc1
InChIInChI=1S/C106H62N14/c1-3-25-63(26-4-1)66-49-54-68(55-50-66)97-111-98(69-56-51-67(52-57-69)64-27-5-2-6-28-64)114-101(113-97)84-61-83-78-36-15-20-46-91(78)118(96(83)80-38-12-9-33-75(80)84)106-110-89-44-24-40-74(94(89)104-108-88-43-18-22-48-93(88)120(104)106)71-31-23-32-72(60-71)99-112-100(73-58-53-65-29-7-8-30-70(65)59-73)116-102(115-99)85-62-82-77-35-14-19-45-90(77)117(95(82)79-37-11-10-34-76(79)85)105-109-86-41-16-13-39-81(86)103-107-87-42-17-21-47-92(87)119(103)105/h1-62H
InChIKeyMLOLSCHNDGQHSN-UHFFFAOYSA-N
XLogP25.41
TPSA147.58 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001531.76
LogP ≤ 525.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 1-[3-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]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 1-[3-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 1-[3-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline (CID 134513736) is 1-[3-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 1-[3-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 1-[3-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc5c6ccccc6n(-c6nc7cccc(-c8cccc(-c9nc(-c%10ccc%11ccccc%11c%10)nc(-c%10cc%11c%12ccccc%12n(-c%12nc%13ccccc%13c%13nc%14ccccc%14n%12%13)c%11c%11ccccc%10%11)n9)c8)c7c7nc8ccccc8n67)c5c5ccccc45)n3)cc2)cc1.
What is the InChIKey of 1-[3-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline?
The InChIKey is MLOLSCHNDGQHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H62N14/c1-3-25-63(26-4-1)66-49-54-68(55-50-66)97-111-98(69-56-51-67(52-57-69)64-27-5-2-6-28-64)114-101(113-97)84-61-83-78-36-15-20-46-91(78)118(96(83)80-38-12-9-33-75(80)84)106-110-89-44-24-40-74(94(89)104-108-88-43-18-22-48-93(88)120(104)106)71-31-23-32-72(60-71)99-112-100(73-58-53-65-29-7-8-30-70(65)59-73)116-102(115-99)85-62-82-77-35-14-19-45-90(77)117(95(82)79-37-11-10-34-76(79)85)105-109-86-41-16-13-39-81(86)103-107-87-42-17-21-47-92(87)119(103)105/h1-62H.
What are the key properties of 1-[3-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline?
1-[3-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline has a molecular weight of 1531.76 g/mol, XLogP of 25.41, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 134513736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).