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

C124H78N8 — CID 134236644

IUPAC9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-c4cc(-c5cccc(-n6c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c5)nc(-n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)n4)c3)cc2)cc1
InChIInChI=1S/C124H78N8/c1-6-26-79(27-7-1)80-48-50-81(51-49-80)82-28-24-29-91(68-82)110-78-111(126-124(125-110)132-122-66-58-89(85-54-62-118-104(72-85)100-42-18-22-46-114(100)129(118)95-35-12-4-13-36-95)76-108(122)109-77-90(59-67-123(109)132)86-55-63-119-105(73-86)101-43-19-23-47-115(101)130(119)96-37-14-5-15-38-96)92-30-25-39-97(69-92)131-120-64-56-87(83-52-60-116-102(70-83)98-40-16-20-44-112(98)127(116)93-31-8-2-9-32-93)74-106(120)107-75-88(57-65-121(107)131)84-53-61-117-103(71-84)99-41-17-21-45-113(99)128(117)94-33-10-3-11-34-94/h1-78H
InChIKeyNNCYSUWFIRHNJC-UHFFFAOYSA-N
MW1680.04 g/mol
LogP32.40
Rot. Bonds14

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

9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole (PubChem CID 134236644) has the molecular formula C124H78N8 and a molecular weight of 1680.04 g/mol. Its IUPAC name is 9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
PubChem CID134236644
Molecular FormulaC124H78N8
Molecular Weight1680.04 g/mol
Exact Mass1678.63
IUPAC Name9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-c4cc(-c5cccc(-n6c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c5)nc(-n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)n4)c3)cc2)cc1
InChIInChI=1S/C124H78N8/c1-6-26-79(27-7-1)80-48-50-81(51-49-80)82-28-24-29-91(68-82)110-78-111(126-124(125-110)132-122-66-58-89(85-54-62-118-104(72-85)100-42-18-22-46-114(100)129(118)95-35-12-4-13-36-95)76-108(122)109-77-90(59-67-123(109)132)86-55-63-119-105(73-86)101-43-19-23-47-115(101)130(119)96-37-14-5-15-38-96)92-30-25-39-97(69-92)131-120-64-56-87(83-52-60-116-102(70-83)98-40-16-20-44-112(98)127(116)93-31-8-2-9-32-93)74-106(120)107-75-88(57-65-121(107)131)84-53-61-117-103(71-84)99-41-17-21-45-113(99)128(117)94-33-10-3-11-34-94/h1-78H
InChIKeyNNCYSUWFIRHNJC-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-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole (CID 134236644) is 9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole is c1ccc(-c2ccc(-c3cccc(-c4cc(-c5cccc(-n6c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c5)nc(-n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)n4)c3)cc2)cc1.
What is the InChIKey of 9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is NNCYSUWFIRHNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C124H78N8/c1-6-26-79(27-7-1)80-48-50-81(51-49-80)82-28-24-29-91(68-82)110-78-111(126-124(125-110)132-122-66-58-89(85-54-62-118-104(72-85)100-42-18-22-46-114(100)129(118)95-35-12-4-13-36-95)76-108(122)109-77-90(59-67-123(109)132)86-55-63-119-105(73-86)101-43-19-23-47-115(101)130(119)96-37-14-5-15-38-96)92-30-25-39-97(69-92)131-120-64-56-87(83-52-60-116-102(70-83)98-40-16-20-44-112(98)127(116)93-31-8-2-9-32-93)74-106(120)107-75-88(57-65-121(107)131)84-53-61-117-103(71-84)99-41-17-21-45-113(99)128(117)94-33-10-3-11-34-94/h1-78H.
What are the key properties of 9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-3,6-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-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 134236644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).