3-[3-[9-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-yl]-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole

C127H80N10 — CID 88887002

IUPAC3-[3-[9-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-yl]-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C(c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c3)(c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c3)c3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3-4)n2)cc1
InChIInChI=1S/C127H80N10/c1-9-33-81(34-10-1)121-128-122(82-35-11-2-12-36-82)131-125(130-121)89-57-63-101-102-64-58-90(126-132-123(83-37-13-3-14-38-83)129-124(133-126)84-39-15-4-16-40-84)80-112(102)127(111(101)79-89,95-71-91(85-59-65-117-107(75-85)103-49-25-29-53-113(103)134(117)97-41-17-5-18-42-97)69-92(72-95)86-60-66-118-108(76-86)104-50-26-30-54-114(104)135(118)98-43-19-6-20-44-98)96-73-93(87-61-67-119-109(77-87)105-51-27-31-55-115(105)136(119)99-45-21-7-22-46-99)70-94(74-96)88-62-68-120-110(78-88)106-52-28-32-56-116(106)137(120)100-47-23-8-24-48-100/h1-80H
InChIKeySECIMLNMJBRLJC-UHFFFAOYSA-N
MW1746.11 g/mol
LogP31.48
Rot. Bonds16

About 3-[3-[9-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-yl]-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole

3-[3-[9-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-yl]-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole (PubChem CID 88887002) has the molecular formula C127H80N10 and a molecular weight of 1746.11 g/mol. Its IUPAC name is 3-[3-[9-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-yl]-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[3-[9-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-yl]-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
PubChem CID88887002
Molecular FormulaC127H80N10
Molecular Weight1746.11 g/mol
Exact Mass1744.66
IUPAC Name3-[3-[9-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-yl]-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C(c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c3)(c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c3)c3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3-4)n2)cc1
InChIInChI=1S/C127H80N10/c1-9-33-81(34-10-1)121-128-122(82-35-11-2-12-36-82)131-125(130-121)89-57-63-101-102-64-58-90(126-132-123(83-37-13-3-14-38-83)129-124(133-126)84-39-15-4-16-40-84)80-112(102)127(111(101)79-89,95-71-91(85-59-65-117-107(75-85)103-49-25-29-53-113(103)134(117)97-41-17-5-18-42-97)69-92(72-95)86-60-66-118-108(76-86)104-50-26-30-54-114(104)135(118)98-43-19-6-20-44-98)96-73-93(87-61-67-119-109(77-87)105-51-27-31-55-115(105)136(119)99-45-21-7-22-46-99)70-94(74-96)88-62-68-120-110(78-88)106-52-28-32-56-116(106)137(120)100-47-23-8-24-48-100/h1-80H
InChIKeySECIMLNMJBRLJC-UHFFFAOYSA-N
XLogP31.48
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms137
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001746.11
LogP ≤ 531.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-[3-[9-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-yl]-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[9-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-yl]-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[3-[9-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-yl]-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole (CID 88887002) is 3-[3-[9-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-yl]-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[3-[9-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-yl]-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[3-[9-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-yl]-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C(c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c3)(c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c3)c3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3-4)n2)cc1.
What is the InChIKey of 3-[3-[9-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-yl]-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole?
The InChIKey is SECIMLNMJBRLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C127H80N10/c1-9-33-81(34-10-1)121-128-122(82-35-11-2-12-36-82)131-125(130-121)89-57-63-101-102-64-58-90(126-132-123(83-37-13-3-14-38-83)129-124(133-126)84-39-15-4-16-40-84)80-112(102)127(111(101)79-89,95-71-91(85-59-65-117-107(75-85)103-49-25-29-53-113(103)134(117)97-41-17-5-18-42-97)69-92(72-95)86-60-66-118-108(76-86)104-50-26-30-54-114(104)135(118)98-43-19-6-20-44-98)96-73-93(87-61-67-119-109(77-87)105-51-27-31-55-115(105)136(119)99-45-21-7-22-46-99)70-94(74-96)88-62-68-120-110(78-88)106-52-28-32-56-116(106)137(120)100-47-23-8-24-48-100/h1-80H.
What are the key properties of 3-[3-[9-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-yl]-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole?
3-[3-[9-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-yl]-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole has a molecular weight of 1746.11 g/mol, XLogP of 31.48, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[9-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-yl]-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 88887002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).