3-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazol-3-yl]-N-[3-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-phenylaniline

C132H87N9 — CID 129265373

IUPAC3-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazol-3-yl]-N-[3-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-phenylaniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc7c6c6cc(-c8cccc(N(c9ccccc9)c9cccc(-c%10ccc%11c(c%10)c%10c(-c%12cccc(-c%13nc(-c%14ccccc%14)nc(-c%14cccc(-c%15cc(-c%16ccccc%16)cc(-c%16ccccc%16)c%15)c%14)n%13)c%12)cccc%10n%11-c%10ccccc%10)c9)c8)ccc6n7-c6ccccc6)c5)n4)c3)c2)cc1
InChIInChI=1S/C132H87N9/c1-10-36-88(37-11-1)106-78-107(89-38-12-2-13-39-89)81-110(80-106)94-48-28-54-102(74-94)129-133-127(92-44-18-5-19-45-92)135-131(137-129)104-56-30-52-100(76-104)117-66-34-68-123-125(117)119-86-98(70-72-121(119)140(123)113-60-24-8-25-61-113)96-50-32-64-115(84-96)139(112-58-22-7-23-59-112)116-65-33-51-97(85-116)99-71-73-122-120(87-99)126-118(67-35-69-124(126)141(122)114-62-26-9-27-63-114)101-53-31-57-105(77-101)132-136-128(93-46-20-6-21-47-93)134-130(138-132)103-55-29-49-95(75-103)111-82-108(90-40-14-3-15-41-90)79-109(83-111)91-42-16-4-17-43-91/h1-87H
InChIKeyWBEMGGHMDKFIPI-UHFFFAOYSA-N
MW1799.21 g/mol
LogP34.39
Rot. Bonds21

About 3-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazol-3-yl]-N-[3-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-phenylaniline

3-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazol-3-yl]-N-[3-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-phenylaniline (PubChem CID 129265373) has the molecular formula C132H87N9 and a molecular weight of 1799.21 g/mol. Its IUPAC name is 3-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazol-3-yl]-N-[3-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-phenylaniline.

Molecular Properties

Compound Name3-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazol-3-yl]-N-[3-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-phenylaniline
PubChem CID129265373
Molecular FormulaC132H87N9
Molecular Weight1799.21 g/mol
Exact Mass1797.71
IUPAC Name3-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazol-3-yl]-N-[3-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-phenylaniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc7c6c6cc(-c8cccc(N(c9ccccc9)c9cccc(-c%10ccc%11c(c%10)c%10c(-c%12cccc(-c%13nc(-c%14ccccc%14)nc(-c%14cccc(-c%15cc(-c%16ccccc%16)cc(-c%16ccccc%16)c%15)c%14)n%13)c%12)cccc%10n%11-c%10ccccc%10)c9)c8)ccc6n7-c6ccccc6)c5)n4)c3)c2)cc1
InChIInChI=1S/C132H87N9/c1-10-36-88(37-11-1)106-78-107(89-38-12-2-13-39-89)81-110(80-106)94-48-28-54-102(74-94)129-133-127(92-44-18-5-19-45-92)135-131(137-129)104-56-30-52-100(76-104)117-66-34-68-123-125(117)119-86-98(70-72-121(119)140(123)113-60-24-8-25-61-113)96-50-32-64-115(84-96)139(112-58-22-7-23-59-112)116-65-33-51-97(85-116)99-71-73-122-120(87-99)126-118(67-35-69-124(126)141(122)114-62-26-9-27-63-114)101-53-31-57-105(77-101)132-136-128(93-46-20-6-21-47-93)134-130(138-132)103-55-29-49-95(75-103)111-82-108(90-40-14-3-15-41-90)79-109(83-111)91-42-16-4-17-43-91/h1-87H
InChIKeyWBEMGGHMDKFIPI-UHFFFAOYSA-N
XLogP34.39
TPSA90.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms141
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001799.21
LogP ≤ 534.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazol-3-yl]-N-[3-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-phenylaniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazol-3-yl]-N-[3-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-phenylaniline?
The IUPAC name of 3-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazol-3-yl]-N-[3-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-phenylaniline (CID 129265373) is 3-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazol-3-yl]-N-[3-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-phenylaniline.
What is the SMILES notation for 3-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazol-3-yl]-N-[3-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-phenylaniline?
The canonical SMILES for 3-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazol-3-yl]-N-[3-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-phenylaniline is c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc7c6c6cc(-c8cccc(N(c9ccccc9)c9cccc(-c%10ccc%11c(c%10)c%10c(-c%12cccc(-c%13nc(-c%14ccccc%14)nc(-c%14cccc(-c%15cc(-c%16ccccc%16)cc(-c%16ccccc%16)c%15)c%14)n%13)c%12)cccc%10n%11-c%10ccccc%10)c9)c8)ccc6n7-c6ccccc6)c5)n4)c3)c2)cc1.
What is the InChIKey of 3-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazol-3-yl]-N-[3-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-phenylaniline?
The InChIKey is WBEMGGHMDKFIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C132H87N9/c1-10-36-88(37-11-1)106-78-107(89-38-12-2-13-39-89)81-110(80-106)94-48-28-54-102(74-94)129-133-127(92-44-18-5-19-45-92)135-131(137-129)104-56-30-52-100(76-104)117-66-34-68-123-125(117)119-86-98(70-72-121(119)140(123)113-60-24-8-25-61-113)96-50-32-64-115(84-96)139(112-58-22-7-23-59-112)116-65-33-51-97(85-116)99-71-73-122-120(87-99)126-118(67-35-69-124(126)141(122)114-62-26-9-27-63-114)101-53-31-57-105(77-101)132-136-128(93-46-20-6-21-47-93)134-130(138-132)103-55-29-49-95(75-103)111-82-108(90-40-14-3-15-41-90)79-109(83-111)91-42-16-4-17-43-91/h1-87H.
What are the key properties of 3-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazol-3-yl]-N-[3-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-phenylaniline?
3-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazol-3-yl]-N-[3-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-phenylaniline has a molecular weight of 1799.21 g/mol, XLogP of 34.39, 21 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazol-3-yl]-N-[3-[5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-phenylaniline is sourced from PubChem (CID 129265373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).