9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole

C124H78N8 — CID 134236651

IUPAC9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-n6c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc7c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc76)c5)nc(-n5c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)n4)c3)c2)cc1
InChIInChI=1S/C124H78N8/c1-6-27-79(28-7-1)80-29-24-30-81(67-80)82-31-25-32-91(68-82)110-78-111(126-124(125-110)132-122-76-89(85-57-65-118-108(72-85)100-45-18-22-49-114(100)129(118)95-38-12-4-13-39-95)53-61-104(122)105-62-54-90(77-123(105)132)86-58-66-119-109(73-86)101-46-19-23-50-115(101)130(119)96-40-14-5-15-41-96)92-33-26-42-97(69-92)131-120-74-87(83-55-63-116-106(70-83)98-43-16-20-47-112(98)127(116)93-34-8-2-9-35-93)51-59-102(120)103-60-52-88(75-121(103)131)84-56-64-117-107(71-84)99-44-17-21-48-113(99)128(117)94-36-10-3-11-37-94/h1-78H
InChIKeyGMLDYMCBKXWHCA-UHFFFAOYSA-N
MW1680.04 g/mol
LogP32.40
Rot. Bonds14

About 9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole

9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole (PubChem CID 134236651) has the molecular formula C124H78N8 and a molecular weight of 1680.04 g/mol. Its IUPAC name is 9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole
PubChem CID134236651
Molecular FormulaC124H78N8
Molecular Weight1680.04 g/mol
Exact Mass1678.63
IUPAC Name9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-n6c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc7c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc76)c5)nc(-n5c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)n4)c3)c2)cc1
InChIInChI=1S/C124H78N8/c1-6-27-79(28-7-1)80-29-24-30-81(67-80)82-31-25-32-91(68-82)110-78-111(126-124(125-110)132-122-76-89(85-57-65-118-108(72-85)100-45-18-22-49-114(100)129(118)95-38-12-4-13-39-95)53-61-104(122)105-62-54-90(77-123(105)132)86-58-66-119-109(73-86)101-46-19-23-50-115(101)130(119)96-40-14-5-15-41-96)92-33-26-42-97(69-92)131-120-74-87(83-55-63-116-106(70-83)98-43-16-20-47-112(98)127(116)93-34-8-2-9-35-93)51-59-102(120)103-60-52-88(75-121(103)131)84-56-64-117-107(71-84)99-44-17-21-48-113(99)128(117)94-36-10-3-11-37-94/h1-78H
InChIKeyGMLDYMCBKXWHCA-UHFFFAOYSA-N
XLogP32.40
TPSA55.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001680.04
LogP ≤ 532.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole (CID 134236651) is 9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole is c1ccc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-n6c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc7c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc76)c5)nc(-n5c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)n4)c3)c2)cc1.
What is the InChIKey of 9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is GMLDYMCBKXWHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C124H78N8/c1-6-27-79(28-7-1)80-29-24-30-81(67-80)82-31-25-32-91(68-82)110-78-111(126-124(125-110)132-122-76-89(85-57-65-118-108(72-85)100-45-18-22-49-114(100)129(118)95-38-12-4-13-39-95)53-61-104(122)105-62-54-90(77-123(105)132)86-58-66-119-109(73-86)101-46-19-23-50-115(101)130(119)96-40-14-5-15-41-96)92-33-26-42-97(69-92)131-120-74-87(83-55-63-116-106(70-83)98-43-16-20-47-112(98)127(116)93-34-8-2-9-35-93)51-59-102(120)103-60-52-88(75-121(103)131)84-56-64-117-107(71-84)99-44-17-21-48-113(99)128(117)94-36-10-3-11-37-94/h1-78H.
What are the key properties of 9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole?
9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 1680.04 g/mol, XLogP of 32.40, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 134236651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).