9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole

C130H82N8 — CID 134242078

IUPAC9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccc(-n6c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)cc5)cc(-c5ccc(-n6c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)cc5)n4)c3)c2)cc1
InChIInChI=1S/C130H82N8/c1-6-26-83(27-7-1)86-28-24-29-87(72-86)88-30-25-31-97(73-88)130-131-116(84-48-60-102(61-49-84)137-126-68-56-93(89-52-64-122-108(74-89)104-40-16-20-44-118(104)133(122)98-32-8-2-9-33-98)78-112(126)113-79-94(57-69-127(113)137)90-53-65-123-109(75-90)105-41-17-21-45-119(105)134(123)99-34-10-3-11-35-99)82-117(132-130)85-50-62-103(63-51-85)138-128-70-58-95(91-54-66-124-110(76-91)106-42-18-22-46-120(106)135(124)100-36-12-4-13-37-100)80-114(128)115-81-96(59-71-129(115)138)92-55-67-125-111(77-92)107-43-19-23-47-121(107)136(125)101-38-14-5-15-39-101/h1-82H
InChIKeyROILWDRPPHSRTG-UHFFFAOYSA-N
MW1756.14 g/mol
LogP34.06
Rot. Bonds15

About 9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole

9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole (PubChem CID 134242078) has the molecular formula C130H82N8 and a molecular weight of 1756.14 g/mol. Its IUPAC name is 9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
PubChem CID134242078
Molecular FormulaC130H82N8
Molecular Weight1756.14 g/mol
Exact Mass1754.67
IUPAC Name9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccc(-n6c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)cc5)cc(-c5ccc(-n6c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)cc5)n4)c3)c2)cc1
InChIInChI=1S/C130H82N8/c1-6-26-83(27-7-1)86-28-24-29-87(72-86)88-30-25-31-97(73-88)130-131-116(84-48-60-102(61-49-84)137-126-68-56-93(89-52-64-122-108(74-89)104-40-16-20-44-118(104)133(122)98-32-8-2-9-33-98)78-112(126)113-79-94(57-69-127(113)137)90-53-65-123-109(75-90)105-41-17-21-45-119(105)134(123)99-34-10-3-11-35-99)82-117(132-130)85-50-62-103(63-51-85)138-128-70-58-95(91-54-66-124-110(76-91)106-42-18-22-46-120(106)135(124)100-36-12-4-13-37-100)80-114(128)115-81-96(59-71-129(115)138)92-55-67-125-111(77-92)107-43-19-23-47-121(107)136(125)101-38-14-5-15-39-101/h1-82H
InChIKeyROILWDRPPHSRTG-UHFFFAOYSA-N
XLogP34.06
TPSA55.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms138
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001756.14
LogP ≤ 534.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole with MolForge

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Related Compounds

3-[9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 158332871
3-(6,9-diphenylcarbazol-3-yl)-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenylcarbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 161143744
9-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole
CID 130359579
9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126630575
9-(3-carbazol-9-ylphenyl)-3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(4-carbazol-9-ylphenyl)-3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 158945712
5-phenyl-11-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-b]carbazole;5-phenyl-11-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-b]carbazole
CID 158156605
9-[3-[4-(4-carbazol-9-ylphenyl)-6-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazole
CID 118901397
9-[3-[4-[4-(4-carbazol-9-ylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazole
CID 118901389
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-[3-[6-phenyl-2-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 170096012
3-[3-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9-(3-carbazol-9-ylphenyl)carbazole
CID 90209021
3-[4-[6-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 58527032
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118149449

Frequently Asked Questions

What is the IUPAC name of 9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole (CID 134242078) is 9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole is c1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccc(-n6c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)cc5)cc(-c5ccc(-n6c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)cc5)n4)c3)c2)cc1.
What is the InChIKey of 9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is ROILWDRPPHSRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C130H82N8/c1-6-26-83(27-7-1)86-28-24-29-87(72-86)88-30-25-31-97(73-88)130-131-116(84-48-60-102(61-49-84)137-126-68-56-93(89-52-64-122-108(74-89)104-40-16-20-44-118(104)133(122)98-32-8-2-9-33-98)78-112(126)113-79-94(57-69-127(113)137)90-53-65-123-109(75-90)105-41-17-21-45-119(105)134(123)99-34-10-3-11-35-99)82-117(132-130)85-50-62-103(63-51-85)138-128-70-58-95(91-54-66-124-110(76-91)106-42-18-22-46-120(106)135(124)100-36-12-4-13-37-100)80-114(128)115-81-96(59-71-129(115)138)92-55-67-125-111(77-92)107-43-19-23-47-121(107)136(125)101-38-14-5-15-39-101/h1-82H.
What are the key properties of 9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 1756.14 g/mol, XLogP of 34.06, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 134242078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).