8-(3,5-diphenylphenyl)-5-[9-[6-phenyl-2-[5-[2-[3-[3-[9-(3-phenylquinoxalin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]quinolin-4-yl]naphthalen-1-yl]pyrimidin-4-yl]carbazol-3-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

C113H69N11 — CID 154952206

IUPAC8-(3,5-diphenylphenyl)-5-[9-[6-phenyl-2-[5-[2-[3-[3-[9-(3-phenylquinoxalin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]quinolin-4-yl]naphthalen-1-yl]pyrimidin-4-yl]carbazol-3-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccncc4c4cnc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)nc(-c6cccc7c(-c8cc(-c9cccc(-n%10c%11ccccc%11c%11cc(-c%12ccc%13c%14ccccc%14n(-c%14nc%15ccccc%15nc%14-c%14ccccc%14)c%13c%12)ccc%11%10)c9)nc9ccccc89)cccc67)n5)cc43)c2)cc1
InChIInChI=1S/C113H69N11/c1-5-26-70(27-6-1)78-58-79(71-28-7-2-8-29-71)61-81(60-78)122-107-56-57-114-68-94(107)95-69-115-99(66-109(95)122)77-52-55-106-93(63-77)88-39-16-21-48-103(88)123(106)110-67-101(72-30-9-3-10-31-72)118-112(120-110)90-43-25-40-82-83(90)41-24-42-84(82)91-65-100(116-96-44-17-13-36-85(91)96)76-34-23-35-80(59-76)121-102-47-20-15-38-87(102)92-62-74(51-54-105(92)121)75-50-53-89-86-37-14-22-49-104(86)124(108(89)64-75)113-111(73-32-11-4-12-33-73)117-97-45-18-19-46-98(97)119-113/h1-69H
InChIKeyZQPVOXBMEKCLRJ-UHFFFAOYSA-N
MW1580.87 g/mol
LogP28.30
Rot. Bonds13

About 8-(3,5-diphenylphenyl)-5-[9-[6-phenyl-2-[5-[2-[3-[3-[9-(3-phenylquinoxalin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]quinolin-4-yl]naphthalen-1-yl]pyrimidin-4-yl]carbazol-3-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

8-(3,5-diphenylphenyl)-5-[9-[6-phenyl-2-[5-[2-[3-[3-[9-(3-phenylquinoxalin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]quinolin-4-yl]naphthalen-1-yl]pyrimidin-4-yl]carbazol-3-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (PubChem CID 154952206) has the molecular formula C113H69N11 and a molecular weight of 1580.87 g/mol. Its IUPAC name is 8-(3,5-diphenylphenyl)-5-[9-[6-phenyl-2-[5-[2-[3-[3-[9-(3-phenylquinoxalin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]quinolin-4-yl]naphthalen-1-yl]pyrimidin-4-yl]carbazol-3-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.

Molecular Properties

Compound Name8-(3,5-diphenylphenyl)-5-[9-[6-phenyl-2-[5-[2-[3-[3-[9-(3-phenylquinoxalin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]quinolin-4-yl]naphthalen-1-yl]pyrimidin-4-yl]carbazol-3-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
PubChem CID154952206
Molecular FormulaC113H69N11
Molecular Weight1580.87 g/mol
Exact Mass1579.57
IUPAC Name8-(3,5-diphenylphenyl)-5-[9-[6-phenyl-2-[5-[2-[3-[3-[9-(3-phenylquinoxalin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]quinolin-4-yl]naphthalen-1-yl]pyrimidin-4-yl]carbazol-3-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccncc4c4cnc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)nc(-c6cccc7c(-c8cc(-c9cccc(-n%10c%11ccccc%11c%11cc(-c%12ccc%13c%14ccccc%14n(-c%14nc%15ccccc%15nc%14-c%14ccccc%14)c%13c%12)ccc%11%10)c9)nc9ccccc89)cccc67)n5)cc43)c2)cc1
InChIInChI=1S/C113H69N11/c1-5-26-70(27-6-1)78-58-79(71-28-7-2-8-29-71)61-81(60-78)122-107-56-57-114-68-94(107)95-69-115-99(66-109(95)122)77-52-55-106-93(63-77)88-39-16-21-48-103(88)123(106)110-67-101(72-30-9-3-10-31-72)118-112(120-110)90-43-25-40-82-83(90)41-24-42-84(82)91-65-100(116-96-44-17-13-36-85(91)96)76-34-23-35-80(59-76)121-102-47-20-15-38-87(102)92-62-74(51-54-105(92)121)75-50-53-89-86-37-14-22-49-104(86)124(108(89)64-75)113-111(73-32-11-4-12-33-73)117-97-45-18-19-46-98(97)119-113/h1-69H
InChIKeyZQPVOXBMEKCLRJ-UHFFFAOYSA-N
XLogP28.30
TPSA109.95 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001580.87
LogP ≤ 528.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 8-(3,5-diphenylphenyl)-5-[9-[6-phenyl-2-[5-[2-[3-[3-[9-(3-phenylquinoxalin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]quinolin-4-yl]naphthalen-1-yl]pyrimidin-4-yl]carbazol-3-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(3,5-diphenylphenyl)-5-[9-[6-phenyl-2-[5-[2-[3-[3-[9-(3-phenylquinoxalin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]quinolin-4-yl]naphthalen-1-yl]pyrimidin-4-yl]carbazol-3-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The IUPAC name of 8-(3,5-diphenylphenyl)-5-[9-[6-phenyl-2-[5-[2-[3-[3-[9-(3-phenylquinoxalin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]quinolin-4-yl]naphthalen-1-yl]pyrimidin-4-yl]carbazol-3-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (CID 154952206) is 8-(3,5-diphenylphenyl)-5-[9-[6-phenyl-2-[5-[2-[3-[3-[9-(3-phenylquinoxalin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]quinolin-4-yl]naphthalen-1-yl]pyrimidin-4-yl]carbazol-3-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.
What is the SMILES notation for 8-(3,5-diphenylphenyl)-5-[9-[6-phenyl-2-[5-[2-[3-[3-[9-(3-phenylquinoxalin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]quinolin-4-yl]naphthalen-1-yl]pyrimidin-4-yl]carbazol-3-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The canonical SMILES for 8-(3,5-diphenylphenyl)-5-[9-[6-phenyl-2-[5-[2-[3-[3-[9-(3-phenylquinoxalin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]quinolin-4-yl]naphthalen-1-yl]pyrimidin-4-yl]carbazol-3-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccncc4c4cnc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)nc(-c6cccc7c(-c8cc(-c9cccc(-n%10c%11ccccc%11c%11cc(-c%12ccc%13c%14ccccc%14n(-c%14nc%15ccccc%15nc%14-c%14ccccc%14)c%13c%12)ccc%11%10)c9)nc9ccccc89)cccc67)n5)cc43)c2)cc1.
What is the InChIKey of 8-(3,5-diphenylphenyl)-5-[9-[6-phenyl-2-[5-[2-[3-[3-[9-(3-phenylquinoxalin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]quinolin-4-yl]naphthalen-1-yl]pyrimidin-4-yl]carbazol-3-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The InChIKey is ZQPVOXBMEKCLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C113H69N11/c1-5-26-70(27-6-1)78-58-79(71-28-7-2-8-29-71)61-81(60-78)122-107-56-57-114-68-94(107)95-69-115-99(66-109(95)122)77-52-55-106-93(63-77)88-39-16-21-48-103(88)123(106)110-67-101(72-30-9-3-10-31-72)118-112(120-110)90-43-25-40-82-83(90)41-24-42-84(82)91-65-100(116-96-44-17-13-36-85(91)96)76-34-23-35-80(59-76)121-102-47-20-15-38-87(102)92-62-74(51-54-105(92)121)75-50-53-89-86-37-14-22-49-104(86)124(108(89)64-75)113-111(73-32-11-4-12-33-73)117-97-45-18-19-46-98(97)119-113/h1-69H.
What are the key properties of 8-(3,5-diphenylphenyl)-5-[9-[6-phenyl-2-[5-[2-[3-[3-[9-(3-phenylquinoxalin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]quinolin-4-yl]naphthalen-1-yl]pyrimidin-4-yl]carbazol-3-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
8-(3,5-diphenylphenyl)-5-[9-[6-phenyl-2-[5-[2-[3-[3-[9-(3-phenylquinoxalin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]quinolin-4-yl]naphthalen-1-yl]pyrimidin-4-yl]carbazol-3-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene has a molecular weight of 1580.87 g/mol, XLogP of 28.30, 13 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-diphenylphenyl)-5-[9-[6-phenyl-2-[5-[2-[3-[3-[9-(3-phenylquinoxalin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]quinolin-4-yl]naphthalen-1-yl]pyrimidin-4-yl]carbazol-3-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is sourced from PubChem (CID 154952206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).