3-[3-[9-(3-cyanophenyl)carbazol-3-yl]-6-[4-(N-[9-(4-quinoxalin-2-ylphenyl)-6-(N-[3-[10-(4-quinoxalin-2-ylphenyl)phenoxazin-2-yl]phenyl]anilino)carbazol-3-yl]anilino)phenyl]carbazol-9-yl]benzonitrile

C114H70N12O — CID 146187389

IUPAC3-[3-[9-(3-cyanophenyl)carbazol-3-yl]-6-[4-(N-[9-(4-quinoxalin-2-ylphenyl)-6-(N-[3-[10-(4-quinoxalin-2-ylphenyl)phenoxazin-2-yl]phenyl]anilino)carbazol-3-yl]anilino)phenyl]carbazol-9-yl]benzonitrile
SMILESN#Cc1cccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc(N(c7ccccc7)c7ccc8c(c7)c7cc(N(c9ccccc9)c9cccc(-c%10ccc%11c(c%10)N(c%10ccc(-c%12cnc%13ccccc%13n%12)cc%10)c%10ccccc%10O%11)c9)ccc7n8-c7ccc(-c8cnc9ccccc9n8)cc7)cc6)ccc4n5-c4cccc(C#N)c4)ccc32)c1
InChIInChI=1S/C114H70N12O/c115-69-73-18-15-25-88(60-73)125-105-33-12-7-28-93(105)94-64-80(43-55-106(94)125)81-44-56-108-96(65-81)95-63-79(42-54-107(95)126(108)89-26-16-19-74(61-89)70-116)75-36-46-85(47-37-75)121(83-21-3-1-4-22-83)91-52-57-109-97(67-91)98-68-92(53-58-110(98)123(109)86-48-38-76(39-49-86)103-71-117-99-29-8-10-31-101(99)119-103)122(84-23-5-2-6-24-84)90-27-17-20-78(62-90)82-45-59-114-112(66-82)124(111-34-13-14-35-113(111)127-114)87-50-40-77(41-51-87)104-72-118-100-30-9-11-32-102(100)120-104/h1-68,71-72H
InChIKeyDZNOXDKQBYKRJK-UHFFFAOYSA-N
MW1623.90 g/mol
LogP29.46
Rot. Bonds15

About 3-[3-[9-(3-cyanophenyl)carbazol-3-yl]-6-[4-(N-[9-(4-quinoxalin-2-ylphenyl)-6-(N-[3-[10-(4-quinoxalin-2-ylphenyl)phenoxazin-2-yl]phenyl]anilino)carbazol-3-yl]anilino)phenyl]carbazol-9-yl]benzonitrile

3-[3-[9-(3-cyanophenyl)carbazol-3-yl]-6-[4-(N-[9-(4-quinoxalin-2-ylphenyl)-6-(N-[3-[10-(4-quinoxalin-2-ylphenyl)phenoxazin-2-yl]phenyl]anilino)carbazol-3-yl]anilino)phenyl]carbazol-9-yl]benzonitrile (PubChem CID 146187389) has the molecular formula C114H70N12O and a molecular weight of 1623.90 g/mol. Its IUPAC name is 3-[3-[9-(3-cyanophenyl)carbazol-3-yl]-6-[4-(N-[9-(4-quinoxalin-2-ylphenyl)-6-(N-[3-[10-(4-quinoxalin-2-ylphenyl)phenoxazin-2-yl]phenyl]anilino)carbazol-3-yl]anilino)phenyl]carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name3-[3-[9-(3-cyanophenyl)carbazol-3-yl]-6-[4-(N-[9-(4-quinoxalin-2-ylphenyl)-6-(N-[3-[10-(4-quinoxalin-2-ylphenyl)phenoxazin-2-yl]phenyl]anilino)carbazol-3-yl]anilino)phenyl]carbazol-9-yl]benzonitrile
PubChem CID146187389
Molecular FormulaC114H70N12O
Molecular Weight1623.90 g/mol
Exact Mass1622.58
IUPAC Name3-[3-[9-(3-cyanophenyl)carbazol-3-yl]-6-[4-(N-[9-(4-quinoxalin-2-ylphenyl)-6-(N-[3-[10-(4-quinoxalin-2-ylphenyl)phenoxazin-2-yl]phenyl]anilino)carbazol-3-yl]anilino)phenyl]carbazol-9-yl]benzonitrile
SMILESN#Cc1cccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc(N(c7ccccc7)c7ccc8c(c7)c7cc(N(c9ccccc9)c9cccc(-c%10ccc%11c(c%10)N(c%10ccc(-c%12cnc%13ccccc%13n%12)cc%10)c%10ccccc%10O%11)c9)ccc7n8-c7ccc(-c8cnc9ccccc9n8)cc7)cc6)ccc4n5-c4cccc(C#N)c4)ccc32)c1
InChIInChI=1S/C114H70N12O/c115-69-73-18-15-25-88(60-73)125-105-33-12-7-28-93(105)94-64-80(43-55-106(94)125)81-44-56-108-96(65-81)95-63-79(42-54-107(95)126(108)89-26-16-19-74(61-89)70-116)75-36-46-85(47-37-75)121(83-21-3-1-4-22-83)91-52-57-109-97(67-91)98-68-92(53-58-110(98)123(109)86-48-38-76(39-49-86)103-71-117-99-29-8-10-31-101(99)119-103)122(84-23-5-2-6-24-84)90-27-17-20-78(62-90)82-45-59-114-112(66-82)124(111-34-13-14-35-113(111)127-114)87-50-40-77(41-51-87)104-72-118-100-30-9-11-32-102(100)120-104/h1-68,71-72H
InChIKeyDZNOXDKQBYKRJK-UHFFFAOYSA-N
XLogP29.46
TPSA132.88 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001623.90
LogP ≤ 529.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 3-[3-[9-(3-cyanophenyl)carbazol-3-yl]-6-[4-(N-[9-(4-quinoxalin-2-ylphenyl)-6-(N-[3-[10-(4-quinoxalin-2-ylphenyl)phenoxazin-2-yl]phenyl]anilino)carbazol-3-yl]anilino)phenyl]carbazol-9-yl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[9-(3-cyanophenyl)carbazol-3-yl]-6-[4-(N-[9-(4-quinoxalin-2-ylphenyl)-6-(N-[3-[10-(4-quinoxalin-2-ylphenyl)phenoxazin-2-yl]phenyl]anilino)carbazol-3-yl]anilino)phenyl]carbazol-9-yl]benzonitrile?
The IUPAC name of 3-[3-[9-(3-cyanophenyl)carbazol-3-yl]-6-[4-(N-[9-(4-quinoxalin-2-ylphenyl)-6-(N-[3-[10-(4-quinoxalin-2-ylphenyl)phenoxazin-2-yl]phenyl]anilino)carbazol-3-yl]anilino)phenyl]carbazol-9-yl]benzonitrile (CID 146187389) is 3-[3-[9-(3-cyanophenyl)carbazol-3-yl]-6-[4-(N-[9-(4-quinoxalin-2-ylphenyl)-6-(N-[3-[10-(4-quinoxalin-2-ylphenyl)phenoxazin-2-yl]phenyl]anilino)carbazol-3-yl]anilino)phenyl]carbazol-9-yl]benzonitrile.
What is the SMILES notation for 3-[3-[9-(3-cyanophenyl)carbazol-3-yl]-6-[4-(N-[9-(4-quinoxalin-2-ylphenyl)-6-(N-[3-[10-(4-quinoxalin-2-ylphenyl)phenoxazin-2-yl]phenyl]anilino)carbazol-3-yl]anilino)phenyl]carbazol-9-yl]benzonitrile?
The canonical SMILES for 3-[3-[9-(3-cyanophenyl)carbazol-3-yl]-6-[4-(N-[9-(4-quinoxalin-2-ylphenyl)-6-(N-[3-[10-(4-quinoxalin-2-ylphenyl)phenoxazin-2-yl]phenyl]anilino)carbazol-3-yl]anilino)phenyl]carbazol-9-yl]benzonitrile is N#Cc1cccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc(N(c7ccccc7)c7ccc8c(c7)c7cc(N(c9ccccc9)c9cccc(-c%10ccc%11c(c%10)N(c%10ccc(-c%12cnc%13ccccc%13n%12)cc%10)c%10ccccc%10O%11)c9)ccc7n8-c7ccc(-c8cnc9ccccc9n8)cc7)cc6)ccc4n5-c4cccc(C#N)c4)ccc32)c1.
What is the InChIKey of 3-[3-[9-(3-cyanophenyl)carbazol-3-yl]-6-[4-(N-[9-(4-quinoxalin-2-ylphenyl)-6-(N-[3-[10-(4-quinoxalin-2-ylphenyl)phenoxazin-2-yl]phenyl]anilino)carbazol-3-yl]anilino)phenyl]carbazol-9-yl]benzonitrile?
The InChIKey is DZNOXDKQBYKRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H70N12O/c115-69-73-18-15-25-88(60-73)125-105-33-12-7-28-93(105)94-64-80(43-55-106(94)125)81-44-56-108-96(65-81)95-63-79(42-54-107(95)126(108)89-26-16-19-74(61-89)70-116)75-36-46-85(47-37-75)121(83-21-3-1-4-22-83)91-52-57-109-97(67-91)98-68-92(53-58-110(98)123(109)86-48-38-76(39-49-86)103-71-117-99-29-8-10-31-101(99)119-103)122(84-23-5-2-6-24-84)90-27-17-20-78(62-90)82-45-59-114-112(66-82)124(111-34-13-14-35-113(111)127-114)87-50-40-77(41-51-87)104-72-118-100-30-9-11-32-102(100)120-104/h1-68,71-72H.
What are the key properties of 3-[3-[9-(3-cyanophenyl)carbazol-3-yl]-6-[4-(N-[9-(4-quinoxalin-2-ylphenyl)-6-(N-[3-[10-(4-quinoxalin-2-ylphenyl)phenoxazin-2-yl]phenyl]anilino)carbazol-3-yl]anilino)phenyl]carbazol-9-yl]benzonitrile?
3-[3-[9-(3-cyanophenyl)carbazol-3-yl]-6-[4-(N-[9-(4-quinoxalin-2-ylphenyl)-6-(N-[3-[10-(4-quinoxalin-2-ylphenyl)phenoxazin-2-yl]phenyl]anilino)carbazol-3-yl]anilino)phenyl]carbazol-9-yl]benzonitrile has a molecular weight of 1623.90 g/mol, XLogP of 29.46, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[9-(3-cyanophenyl)carbazol-3-yl]-6-[4-(N-[9-(4-quinoxalin-2-ylphenyl)-6-(N-[3-[10-(4-quinoxalin-2-ylphenyl)phenoxazin-2-yl]phenyl]anilino)carbazol-3-yl]anilino)phenyl]carbazol-9-yl]benzonitrile is sourced from PubChem (CID 146187389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).