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

C167H104N10 — CID 126630555

IUPAC9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-2-[4-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)-c4cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc4C5c4ccc(-c5nc(-c6ccc(-n7c8ccc(-c9ccc%10c%11ccccc%11n(-c%11ccccc%11)c%10c9)cc8c8cc(-c9ccc%10c%11ccccc%11n(-c%11ccccc%11)c%10c9)ccc87)cc6)cc(-c6ccc(-n7c8ccc(-c9ccc%10c%11ccccc%11n(-c%11ccccc%11)c%10c9)cc8c8cc(-c9ccc%10c%11ccccc%11n(-c%11ccccc%11)c%10c9)ccc87)cc6)n5)cc4)cc32)cc1
InChIInChI=1S/C167H104N10/c1-7-31-120(32-8-1)172-150-49-25-19-43-128(150)134-79-63-114(97-160(134)172)108-69-85-140-142(91-108)143-92-109(115-64-80-135-129-44-20-26-50-151(129)173(161(135)98-115)121-33-9-2-10-34-121)70-86-141(143)166(140)106-55-57-107(58-56-106)167-168-148(104-59-75-126(76-60-104)170-156-87-71-110(116-65-81-136-130-45-21-27-51-152(130)174(162(136)99-116)122-35-11-3-12-36-122)93-144(156)145-94-111(72-88-157(145)170)117-66-82-137-131-46-22-28-52-153(131)175(163(137)100-117)123-37-13-4-14-38-123)103-149(169-167)105-61-77-127(78-62-105)171-158-89-73-112(118-67-83-138-132-47-23-29-53-154(132)176(164(138)101-118)124-39-15-5-16-40-124)95-146(158)147-96-113(74-90-159(147)171)119-68-84-139-133-48-24-30-54-155(133)177(165(139)102-119)125-41-17-6-18-42-125/h1-103,166H
InChIKeyRTUNSRJLHJVNED-UHFFFAOYSA-N
MW2250.74 g/mol
LogP43.42
Rot. Bonds18

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

9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-2-[4-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole (PubChem CID 126630555) has the molecular formula C167H104N10 and a molecular weight of 2250.74 g/mol. Its IUPAC name is 9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-2-[4-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole.

Molecular Properties

Compound Name9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-2-[4-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
PubChem CID126630555
Molecular FormulaC167H104N10
Molecular Weight2250.74 g/mol
Exact Mass2248.84
IUPAC Name9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-2-[4-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)-c4cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc4C5c4ccc(-c5nc(-c6ccc(-n7c8ccc(-c9ccc%10c%11ccccc%11n(-c%11ccccc%11)c%10c9)cc8c8cc(-c9ccc%10c%11ccccc%11n(-c%11ccccc%11)c%10c9)ccc87)cc6)cc(-c6ccc(-n7c8ccc(-c9ccc%10c%11ccccc%11n(-c%11ccccc%11)c%10c9)cc8c8cc(-c9ccc%10c%11ccccc%11n(-c%11ccccc%11)c%10c9)ccc87)cc6)n5)cc4)cc32)cc1
InChIInChI=1S/C167H104N10/c1-7-31-120(32-8-1)172-150-49-25-19-43-128(150)134-79-63-114(97-160(134)172)108-69-85-140-142(91-108)143-92-109(115-64-80-135-129-44-20-26-50-151(129)173(161(135)98-115)121-33-9-2-10-34-121)70-86-141(143)166(140)106-55-57-107(58-56-106)167-168-148(104-59-75-126(76-60-104)170-156-87-71-110(116-65-81-136-130-45-21-27-51-152(130)174(162(136)99-116)122-35-11-3-12-36-122)93-144(156)145-94-111(72-88-157(145)170)117-66-82-137-131-46-22-28-52-153(131)175(163(137)100-117)123-37-13-4-14-38-123)103-149(169-167)105-61-77-127(78-62-105)171-158-89-73-112(118-67-83-138-132-47-23-29-53-154(132)176(164(138)101-118)124-39-15-5-16-40-124)95-146(158)147-96-113(74-90-159(147)171)119-68-84-139-133-48-24-30-54-155(133)177(165(139)102-119)125-41-17-6-18-42-125/h1-103,166H
InChIKeyRTUNSRJLHJVNED-UHFFFAOYSA-N
XLogP43.42
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms177
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002250.74
LogP ≤ 543.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-2-[4-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]phenyl]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-[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-2-[4-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole?
The IUPAC name of 9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-2-[4-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole (CID 126630555) is 9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-2-[4-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole.
What is the SMILES notation for 9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-2-[4-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole?
The canonical SMILES for 9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-2-[4-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole is c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)-c4cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc4C5c4ccc(-c5nc(-c6ccc(-n7c8ccc(-c9ccc%10c%11ccccc%11n(-c%11ccccc%11)c%10c9)cc8c8cc(-c9ccc%10c%11ccccc%11n(-c%11ccccc%11)c%10c9)ccc87)cc6)cc(-c6ccc(-n7c8ccc(-c9ccc%10c%11ccccc%11n(-c%11ccccc%11)c%10c9)cc8c8cc(-c9ccc%10c%11ccccc%11n(-c%11ccccc%11)c%10c9)ccc87)cc6)n5)cc4)cc32)cc1.
What is the InChIKey of 9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-2-[4-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole?
The InChIKey is RTUNSRJLHJVNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C167H104N10/c1-7-31-120(32-8-1)172-150-49-25-19-43-128(150)134-79-63-114(97-160(134)172)108-69-85-140-142(91-108)143-92-109(115-64-80-135-129-44-20-26-50-151(129)173(161(135)98-115)121-33-9-2-10-34-121)70-86-141(143)166(140)106-55-57-107(58-56-106)167-168-148(104-59-75-126(76-60-104)170-156-87-71-110(116-65-81-136-130-45-21-27-51-152(130)174(162(136)99-116)122-35-11-3-12-36-122)93-144(156)145-94-111(72-88-157(145)170)117-66-82-137-131-46-22-28-52-153(131)175(163(137)100-117)123-37-13-4-14-38-123)103-149(169-167)105-61-77-127(78-62-105)171-158-89-73-112(118-67-83-138-132-47-23-29-53-154(132)176(164(138)101-118)124-39-15-5-16-40-124)95-146(158)147-96-113(74-90-159(147)171)119-68-84-139-133-48-24-30-54-155(133)177(165(139)102-119)125-41-17-6-18-42-125/h1-103,166H.
What are the key properties of 9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-2-[4-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole?
9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-2-[4-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole has a molecular weight of 2250.74 g/mol, XLogP of 43.42, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-2-[4-[3,6-bis(9-phenylcarbazol-2-yl)-9H-fluoren-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole is sourced from PubChem (CID 126630555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).