3-[10-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]phenanthren-3-yl]-6-[10-[6-[6-(10-naphthalen-2-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazolin-3-yl]naphthalen-1-yl]benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline

C124H70N12 — CID 134513512

IUPAC3-[10-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]phenanthren-3-yl]-6-[10-[6-[6-(10-naphthalen-2-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazolin-3-yl]naphthalen-1-yl]benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline
SMILESc1ccc2cc(-c3ccc4c(c3)c3c5ccccc5ccc3n4-c3nc4cc(-c5ccc6c(-c7ccc8c(c7)c7c9ccccc9ccc7n8-c7nc8cc(-c9ccc%10c(-c%11ccc%12c(c%11)c%11c%13ccccc%13ccc%11n%12-c%11nc%12ccccc%12c%12nc%13ccccc%13n%11%12)cc%11ccccc%11c%10c9)ccc8c8nc9ccccc9n78)cccc6c5)ccc4c4nc5ccccc5n34)ccc2c1
InChIInChI=1S/C124H70N12/c1-2-24-75-62-76(41-40-71(75)20-1)79-49-56-107-98(65-79)116-89-28-8-3-21-72(89)46-59-113(116)132(107)123-129-105-69-80(44-54-94(105)120-126-103-35-14-17-38-111(103)135(120)123)77-42-52-88-82(63-77)26-19-32-86(88)84-50-57-108-99(67-84)117-90-29-9-4-22-73(90)48-61-115(117)133(108)124-130-106-70-81(45-55-95(106)121-127-104-36-15-18-39-112(104)136(121)124)78-43-53-92-96(66-83-25-6-7-27-87(83)97(92)64-78)85-51-58-109-100(68-85)118-91-30-10-5-23-74(91)47-60-114(118)131(109)122-128-101-33-12-11-31-93(101)119-125-102-34-13-16-37-110(102)134(119)122/h1-70H
InChIKeyOYGGQKNNFFINLR-UHFFFAOYSA-N
MW1728.01 g/mol
LogP31.43
Rot. Bonds8

About 3-[10-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]phenanthren-3-yl]-6-[10-[6-[6-(10-naphthalen-2-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazolin-3-yl]naphthalen-1-yl]benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline

3-[10-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]phenanthren-3-yl]-6-[10-[6-[6-(10-naphthalen-2-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazolin-3-yl]naphthalen-1-yl]benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline (PubChem CID 134513512) has the molecular formula C124H70N12 and a molecular weight of 1728.01 g/mol. Its IUPAC name is 3-[10-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]phenanthren-3-yl]-6-[10-[6-[6-(10-naphthalen-2-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazolin-3-yl]naphthalen-1-yl]benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name3-[10-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]phenanthren-3-yl]-6-[10-[6-[6-(10-naphthalen-2-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazolin-3-yl]naphthalen-1-yl]benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline
PubChem CID134513512
Molecular FormulaC124H70N12
Molecular Weight1728.01 g/mol
Exact Mass1726.58
IUPAC Name3-[10-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]phenanthren-3-yl]-6-[10-[6-[6-(10-naphthalen-2-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazolin-3-yl]naphthalen-1-yl]benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline
SMILESc1ccc2cc(-c3ccc4c(c3)c3c5ccccc5ccc3n4-c3nc4cc(-c5ccc6c(-c7ccc8c(c7)c7c9ccccc9ccc7n8-c7nc8cc(-c9ccc%10c(-c%11ccc%12c(c%11)c%11c%13ccccc%13ccc%11n%12-c%11nc%12ccccc%12c%12nc%13ccccc%13n%11%12)cc%11ccccc%11c%10c9)ccc8c8nc9ccccc9n78)cccc6c5)ccc4c4nc5ccccc5n34)ccc2c1
InChIInChI=1S/C124H70N12/c1-2-24-75-62-76(41-40-71(75)20-1)79-49-56-107-98(65-79)116-89-28-8-3-21-72(89)46-59-113(116)132(107)123-129-105-69-80(44-54-94(105)120-126-103-35-14-17-38-111(103)135(120)123)77-42-52-88-82(63-77)26-19-32-86(88)84-50-57-108-99(67-84)117-90-29-9-4-22-73(90)48-61-115(117)133(108)124-130-106-70-81(45-55-95(106)121-127-104-36-15-18-39-112(104)136(121)124)78-43-53-92-96(66-83-25-6-7-27-87(83)97(92)64-78)85-51-58-109-100(68-85)118-91-30-10-5-23-74(91)47-60-114(118)131(109)122-128-101-33-12-11-31-93(101)119-125-102-34-13-16-37-110(102)134(119)122/h1-70H
InChIKeyOYGGQKNNFFINLR-UHFFFAOYSA-N
XLogP31.43
TPSA105.36 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001728.01
LogP ≤ 531.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 3-[10-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]phenanthren-3-yl]-6-[10-[6-[6-(10-naphthalen-2-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazolin-3-yl]naphthalen-1-yl]benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[10-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]phenanthren-3-yl]-6-[10-[6-[6-(10-naphthalen-2-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazolin-3-yl]naphthalen-1-yl]benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 3-[10-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]phenanthren-3-yl]-6-[10-[6-[6-(10-naphthalen-2-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazolin-3-yl]naphthalen-1-yl]benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline (CID 134513512) is 3-[10-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]phenanthren-3-yl]-6-[10-[6-[6-(10-naphthalen-2-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazolin-3-yl]naphthalen-1-yl]benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 3-[10-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]phenanthren-3-yl]-6-[10-[6-[6-(10-naphthalen-2-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazolin-3-yl]naphthalen-1-yl]benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 3-[10-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]phenanthren-3-yl]-6-[10-[6-[6-(10-naphthalen-2-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazolin-3-yl]naphthalen-1-yl]benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline is c1ccc2cc(-c3ccc4c(c3)c3c5ccccc5ccc3n4-c3nc4cc(-c5ccc6c(-c7ccc8c(c7)c7c9ccccc9ccc7n8-c7nc8cc(-c9ccc%10c(-c%11ccc%12c(c%11)c%11c%13ccccc%13ccc%11n%12-c%11nc%12ccccc%12c%12nc%13ccccc%13n%11%12)cc%11ccccc%11c%10c9)ccc8c8nc9ccccc9n78)cccc6c5)ccc4c4nc5ccccc5n34)ccc2c1.
What is the InChIKey of 3-[10-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]phenanthren-3-yl]-6-[10-[6-[6-(10-naphthalen-2-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazolin-3-yl]naphthalen-1-yl]benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline?
The InChIKey is OYGGQKNNFFINLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C124H70N12/c1-2-24-75-62-76(41-40-71(75)20-1)79-49-56-107-98(65-79)116-89-28-8-3-21-72(89)46-59-113(116)132(107)123-129-105-69-80(44-54-94(105)120-126-103-35-14-17-38-111(103)135(120)123)77-42-52-88-82(63-77)26-19-32-86(88)84-50-57-108-99(67-84)117-90-29-9-4-22-73(90)48-61-115(117)133(108)124-130-106-70-81(45-55-95(106)121-127-104-36-15-18-39-112(104)136(121)124)78-43-53-92-96(66-83-25-6-7-27-87(83)97(92)64-78)85-51-58-109-100(68-85)118-91-30-10-5-23-74(91)47-60-114(118)131(109)122-128-101-33-12-11-31-93(101)119-125-102-34-13-16-37-110(102)134(119)122/h1-70H.
What are the key properties of 3-[10-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]phenanthren-3-yl]-6-[10-[6-[6-(10-naphthalen-2-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazolin-3-yl]naphthalen-1-yl]benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline?
3-[10-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]phenanthren-3-yl]-6-[10-[6-[6-(10-naphthalen-2-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazolin-3-yl]naphthalen-1-yl]benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline has a molecular weight of 1728.01 g/mol, XLogP of 31.43, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]phenanthren-3-yl]-6-[10-[6-[6-(10-naphthalen-2-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazolin-3-yl]naphthalen-1-yl]benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 134513512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).