9-[6-[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-2-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]pyrimidin-4-yl]-3-(9-phenylcarbazol-1-yl)-6-(9-phenylcarbazol-2-yl)carbazole

C155H96N10 — CID 126651816

IUPAC9-[6-[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-2-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]pyrimidin-4-yl]-3-(9-phenylcarbazol-1-yl)-6-(9-phenylcarbazol-2-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)-c4cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc4C5c4nc(-c5ccc(-n6c7ccc(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)cc7c7cc(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)ccc76)cc5)cc(-n5c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6c6cc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)ccc65)n4)cc32)cc1
InChIInChI=1S/C155H96N10/c1-7-32-108(33-8-1)159-137-52-25-19-44-116(137)122-73-60-102(90-147(122)159)97-65-78-127-130(84-97)131-85-98(103-61-74-123-117-45-20-26-53-138(117)160(148(123)91-103)109-34-9-2-10-35-109)66-79-128(131)153(127)155-156-136(95-152(157-155)165-145-82-69-101(106-64-77-126-120-48-23-29-56-141(120)163(151(126)94-106)112-40-15-5-16-41-112)88-134(145)135-89-107(70-83-146(135)165)115-50-31-51-129-121-49-24-30-57-142(121)164(154(115)129)113-42-17-6-18-43-113)96-58-71-114(72-59-96)158-143-80-67-99(104-62-75-124-118-46-21-27-54-139(118)161(149(124)92-104)110-36-11-3-12-37-110)86-132(143)133-87-100(68-81-144(133)158)105-63-76-125-119-47-22-28-55-140(119)162(150(125)93-105)111-38-13-4-14-39-111/h1-95,153H
InChIKeyDKYGLJZPIUUXAR-UHFFFAOYSA-N
MW2098.54 g/mol
LogP40.08
Rot. Bonds16

About 9-[6-[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-2-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]pyrimidin-4-yl]-3-(9-phenylcarbazol-1-yl)-6-(9-phenylcarbazol-2-yl)carbazole

9-[6-[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-2-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]pyrimidin-4-yl]-3-(9-phenylcarbazol-1-yl)-6-(9-phenylcarbazol-2-yl)carbazole (PubChem CID 126651816) has the molecular formula C155H96N10 and a molecular weight of 2098.54 g/mol. Its IUPAC name is 9-[6-[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-2-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]pyrimidin-4-yl]-3-(9-phenylcarbazol-1-yl)-6-(9-phenylcarbazol-2-yl)carbazole.

Molecular Properties

Compound Name9-[6-[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-2-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]pyrimidin-4-yl]-3-(9-phenylcarbazol-1-yl)-6-(9-phenylcarbazol-2-yl)carbazole
PubChem CID126651816
Molecular FormulaC155H96N10
Molecular Weight2098.54 g/mol
Exact Mass2096.78
IUPAC Name9-[6-[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-2-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]pyrimidin-4-yl]-3-(9-phenylcarbazol-1-yl)-6-(9-phenylcarbazol-2-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)-c4cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc4C5c4nc(-c5ccc(-n6c7ccc(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)cc7c7cc(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)ccc76)cc5)cc(-n5c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6c6cc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)ccc65)n4)cc32)cc1
InChIInChI=1S/C155H96N10/c1-7-32-108(33-8-1)159-137-52-25-19-44-116(137)122-73-60-102(90-147(122)159)97-65-78-127-130(84-97)131-85-98(103-61-74-123-117-45-20-26-53-138(117)160(148(123)91-103)109-34-9-2-10-35-109)66-79-128(131)153(127)155-156-136(95-152(157-155)165-145-82-69-101(106-64-77-126-120-48-23-29-56-141(120)163(151(126)94-106)112-40-15-5-16-41-112)88-134(145)135-89-107(70-83-146(135)165)115-50-31-51-129-121-49-24-30-57-142(121)164(154(115)129)113-42-17-6-18-43-113)96-58-71-114(72-59-96)158-143-80-67-99(104-62-75-124-118-46-21-27-54-139(118)161(149(124)92-104)110-36-11-3-12-37-110)86-132(143)133-87-100(68-81-144(133)158)105-63-76-125-119-47-22-28-55-140(119)162(150(125)93-105)111-38-13-4-14-39-111/h1-95,153H
InChIKeyDKYGLJZPIUUXAR-UHFFFAOYSA-N
XLogP40.08
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms165
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002098.54
LogP ≤ 540.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 9-[6-[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-2-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]pyrimidin-4-yl]-3-(9-phenylcarbazol-1-yl)-6-(9-phenylcarbazol-2-yl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[6-[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-2-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]pyrimidin-4-yl]-3-(9-phenylcarbazol-1-yl)-6-(9-phenylcarbazol-2-yl)carbazole?
The IUPAC name of 9-[6-[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-2-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]pyrimidin-4-yl]-3-(9-phenylcarbazol-1-yl)-6-(9-phenylcarbazol-2-yl)carbazole (CID 126651816) is 9-[6-[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-2-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]pyrimidin-4-yl]-3-(9-phenylcarbazol-1-yl)-6-(9-phenylcarbazol-2-yl)carbazole.
What is the SMILES notation for 9-[6-[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-2-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]pyrimidin-4-yl]-3-(9-phenylcarbazol-1-yl)-6-(9-phenylcarbazol-2-yl)carbazole?
The canonical SMILES for 9-[6-[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-2-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]pyrimidin-4-yl]-3-(9-phenylcarbazol-1-yl)-6-(9-phenylcarbazol-2-yl)carbazole is c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)-c4cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc4C5c4nc(-c5ccc(-n6c7ccc(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)cc7c7cc(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)ccc76)cc5)cc(-n5c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6c6cc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)ccc65)n4)cc32)cc1.
What is the InChIKey of 9-[6-[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-2-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]pyrimidin-4-yl]-3-(9-phenylcarbazol-1-yl)-6-(9-phenylcarbazol-2-yl)carbazole?
The InChIKey is DKYGLJZPIUUXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C155H96N10/c1-7-32-108(33-8-1)159-137-52-25-19-44-116(137)122-73-60-102(90-147(122)159)97-65-78-127-130(84-97)131-85-98(103-61-74-123-117-45-20-26-53-138(117)160(148(123)91-103)109-34-9-2-10-35-109)66-79-128(131)153(127)155-156-136(95-152(157-155)165-145-82-69-101(106-64-77-126-120-48-23-29-56-141(120)163(151(126)94-106)112-40-15-5-16-41-112)88-134(145)135-89-107(70-83-146(135)165)115-50-31-51-129-121-49-24-30-57-142(121)164(154(115)129)113-42-17-6-18-43-113)96-58-71-114(72-59-96)158-143-80-67-99(104-62-75-124-118-46-21-27-54-139(118)161(149(124)92-104)110-36-11-3-12-37-110)86-132(143)133-87-100(68-81-144(133)158)105-63-76-125-119-47-22-28-55-140(119)162(150(125)93-105)111-38-13-4-14-39-111/h1-95,153H.
What are the key properties of 9-[6-[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-2-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]pyrimidin-4-yl]-3-(9-phenylcarbazol-1-yl)-6-(9-phenylcarbazol-2-yl)carbazole?
9-[6-[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-2-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]pyrimidin-4-yl]-3-(9-phenylcarbazol-1-yl)-6-(9-phenylcarbazol-2-yl)carbazole has a molecular weight of 2098.54 g/mol, XLogP of 40.08, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-2-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]pyrimidin-4-yl]-3-(9-phenylcarbazol-1-yl)-6-(9-phenylcarbazol-2-yl)carbazole is sourced from PubChem (CID 126651816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).