9-[3-[4-[4,6-bis[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-3-methylphenyl]-1,3,5-triazin-2-yl]-2-methylphenyl]phenyl]-3,6-diphenylcarbazole

C114H78N6 — CID 88560992

IUPAC9-[3-[4-[4,6-bis[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-3-methylphenyl]-1,3,5-triazin-2-yl]-2-methylphenyl]phenyl]-3,6-diphenylcarbazole
SMILESCc1cc(-c2nc(-c3ccc(-c4cccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)c4)c(C)c3)nc(-c3ccc(-c4cccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)c4)c(C)c3)n2)ccc1-c1cccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1
InChIInChI=1S/C114H78N6/c1-73-61-91(43-52-97(73)88-37-22-40-94(64-88)118-106-55-46-82(76-25-10-4-11-26-76)67-100(106)101-68-83(47-56-107(101)118)77-27-12-5-13-28-77)112-115-113(92-44-53-98(74(2)62-92)89-38-23-41-95(65-89)119-108-57-48-84(78-29-14-6-15-30-78)69-102(108)103-70-85(49-58-109(103)119)79-31-16-7-17-32-79)117-114(116-112)93-45-54-99(75(3)63-93)90-39-24-42-96(66-90)120-110-59-50-86(80-33-18-8-19-34-80)71-104(110)105-72-87(51-60-111(105)120)81-35-20-9-21-36-81/h4-72H,1-3H3
InChIKeyQXGVLPLKOQKFJV-UHFFFAOYSA-N
MW1531.92 g/mol
LogP30.09
Rot. Bonds15

About 9-[3-[4-[4,6-bis[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-3-methylphenyl]-1,3,5-triazin-2-yl]-2-methylphenyl]phenyl]-3,6-diphenylcarbazole

9-[3-[4-[4,6-bis[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-3-methylphenyl]-1,3,5-triazin-2-yl]-2-methylphenyl]phenyl]-3,6-diphenylcarbazole (PubChem CID 88560992) has the molecular formula C114H78N6 and a molecular weight of 1531.92 g/mol. Its IUPAC name is 9-[3-[4-[4,6-bis[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-3-methylphenyl]-1,3,5-triazin-2-yl]-2-methylphenyl]phenyl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-[3-[4-[4,6-bis[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-3-methylphenyl]-1,3,5-triazin-2-yl]-2-methylphenyl]phenyl]-3,6-diphenylcarbazole
PubChem CID88560992
Molecular FormulaC114H78N6
Molecular Weight1531.92 g/mol
Exact Mass1530.63
IUPAC Name9-[3-[4-[4,6-bis[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-3-methylphenyl]-1,3,5-triazin-2-yl]-2-methylphenyl]phenyl]-3,6-diphenylcarbazole
SMILESCc1cc(-c2nc(-c3ccc(-c4cccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)c4)c(C)c3)nc(-c3ccc(-c4cccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)c4)c(C)c3)n2)ccc1-c1cccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1
InChIInChI=1S/C114H78N6/c1-73-61-91(43-52-97(73)88-37-22-40-94(64-88)118-106-55-46-82(76-25-10-4-11-26-76)67-100(106)101-68-83(47-56-107(101)118)77-27-12-5-13-28-77)112-115-113(92-44-53-98(74(2)62-92)89-38-23-41-95(65-89)119-108-57-48-84(78-29-14-6-15-30-78)69-102(108)103-70-85(49-58-109(103)119)79-31-16-7-17-32-79)117-114(116-112)93-45-54-99(75(3)63-93)90-39-24-42-96(66-90)120-110-59-50-86(80-33-18-8-19-34-80)71-104(110)105-72-87(51-60-111(105)120)81-35-20-9-21-36-81/h4-72H,1-3H3
InChIKeyQXGVLPLKOQKFJV-UHFFFAOYSA-N
XLogP30.09
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001531.92
LogP ≤ 530.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[3-[4-[4,6-bis[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-3-methylphenyl]-1,3,5-triazin-2-yl]-2-methylphenyl]phenyl]-3,6-diphenylcarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-[4,6-bis[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-3-methylphenyl]-1,3,5-triazin-2-yl]-2-methylphenyl]phenyl]-3,6-diphenylcarbazole?
The IUPAC name of 9-[3-[4-[4,6-bis[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-3-methylphenyl]-1,3,5-triazin-2-yl]-2-methylphenyl]phenyl]-3,6-diphenylcarbazole (CID 88560992) is 9-[3-[4-[4,6-bis[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-3-methylphenyl]-1,3,5-triazin-2-yl]-2-methylphenyl]phenyl]-3,6-diphenylcarbazole.
What is the SMILES notation for 9-[3-[4-[4,6-bis[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-3-methylphenyl]-1,3,5-triazin-2-yl]-2-methylphenyl]phenyl]-3,6-diphenylcarbazole?
The canonical SMILES for 9-[3-[4-[4,6-bis[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-3-methylphenyl]-1,3,5-triazin-2-yl]-2-methylphenyl]phenyl]-3,6-diphenylcarbazole is Cc1cc(-c2nc(-c3ccc(-c4cccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)c4)c(C)c3)nc(-c3ccc(-c4cccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)c4)c(C)c3)n2)ccc1-c1cccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1.
What is the InChIKey of 9-[3-[4-[4,6-bis[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-3-methylphenyl]-1,3,5-triazin-2-yl]-2-methylphenyl]phenyl]-3,6-diphenylcarbazole?
The InChIKey is QXGVLPLKOQKFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H78N6/c1-73-61-91(43-52-97(73)88-37-22-40-94(64-88)118-106-55-46-82(76-25-10-4-11-26-76)67-100(106)101-68-83(47-56-107(101)118)77-27-12-5-13-28-77)112-115-113(92-44-53-98(74(2)62-92)89-38-23-41-95(65-89)119-108-57-48-84(78-29-14-6-15-30-78)69-102(108)103-70-85(49-58-109(103)119)79-31-16-7-17-32-79)117-114(116-112)93-45-54-99(75(3)63-93)90-39-24-42-96(66-90)120-110-59-50-86(80-33-18-8-19-34-80)71-104(110)105-72-87(51-60-111(105)120)81-35-20-9-21-36-81/h4-72H,1-3H3.
What are the key properties of 9-[3-[4-[4,6-bis[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-3-methylphenyl]-1,3,5-triazin-2-yl]-2-methylphenyl]phenyl]-3,6-diphenylcarbazole?
9-[3-[4-[4,6-bis[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-3-methylphenyl]-1,3,5-triazin-2-yl]-2-methylphenyl]phenyl]-3,6-diphenylcarbazole has a molecular weight of 1531.92 g/mol, XLogP of 30.09, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-[4,6-bis[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-3-methylphenyl]-1,3,5-triazin-2-yl]-2-methylphenyl]phenyl]-3,6-diphenylcarbazole is sourced from PubChem (CID 88560992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).