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

C155H96N10 — CID 126630578

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

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

9-[4-[6-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-2-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole (PubChem CID 126630578) has the molecular formula C155H96N10 and a molecular weight of 2098.54 g/mol. Its IUPAC name is 9-[4-[6-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-2-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole.

Molecular Properties

Compound Name9-[4-[6-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-2-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
PubChem CID126630578
Molecular FormulaC155H96N10
Molecular Weight2098.54 g/mol
Exact Mass2096.78
IUPAC Name9-[4-[6-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-2-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]pyrimidin-4-yl]phenyl]-3,6-bis(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(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc65)n4)cc32)cc1
InChIInChI=1S/C155H96N10/c1-7-31-109(32-8-1)159-137-49-25-19-43-116(137)122-71-57-103(89-147(122)159)97-63-77-128-130(83-97)131-84-98(104-58-72-123-117-44-20-26-50-138(117)160(148(123)90-104)110-33-9-2-10-34-110)64-78-129(131)154(128)155-156-136(95-153(157-155)165-145-81-67-101(107-61-75-126-120-47-23-29-53-141(120)163(151(126)93-107)113-39-15-5-16-40-113)87-134(145)135-88-102(68-82-146(135)165)108-62-76-127-121-48-24-30-54-142(121)164(152(127)94-108)114-41-17-6-18-42-114)96-55-69-115(70-56-96)158-143-79-65-99(105-59-73-124-118-45-21-27-51-139(118)161(149(124)91-105)111-35-11-3-12-36-111)85-132(143)133-86-100(66-80-144(133)158)106-60-74-125-119-46-22-28-52-140(119)162(150(125)92-106)112-37-13-4-14-38-112/h1-95,154H
InChIKeyHMFLLAKENRMTPW-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-[4-[6-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-2-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[6-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-2-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole?
The IUPAC name of 9-[4-[6-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-2-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole (CID 126630578) is 9-[4-[6-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-2-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole.
What is the SMILES notation for 9-[4-[6-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-2-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole?
The canonical SMILES for 9-[4-[6-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-2-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]pyrimidin-4-yl]phenyl]-3,6-bis(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(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc65)n4)cc32)cc1.
What is the InChIKey of 9-[4-[6-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-2-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole?
The InChIKey is HMFLLAKENRMTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C155H96N10/c1-7-31-109(32-8-1)159-137-49-25-19-43-116(137)122-71-57-103(89-147(122)159)97-63-77-128-130(83-97)131-84-98(104-58-72-123-117-44-20-26-50-138(117)160(148(123)90-104)110-33-9-2-10-34-110)64-78-129(131)154(128)155-156-136(95-153(157-155)165-145-81-67-101(107-61-75-126-120-47-23-29-53-141(120)163(151(126)93-107)113-39-15-5-16-40-113)87-134(145)135-88-102(68-82-146(135)165)108-62-76-127-121-48-24-30-54-142(121)164(152(127)94-108)114-41-17-6-18-42-114)96-55-69-115(70-56-96)158-143-79-65-99(105-59-73-124-118-45-21-27-51-139(118)161(149(124)91-105)111-35-11-3-12-36-111)85-132(143)133-86-100(66-80-144(133)158)106-60-74-125-119-46-22-28-52-140(119)162(150(125)92-106)112-37-13-4-14-38-112/h1-95,154H.
What are the key properties of 9-[4-[6-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-2-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole?
9-[4-[6-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-2-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]pyrimidin-4-yl]phenyl]-3,6-bis(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-[4-[6-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-2-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole is sourced from PubChem (CID 126630578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).