1-[9-[3-[2,6-bis[3-[3-[9-phenyl-8-(9-phenylcarbazol-1-yl)carbazol-1-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-9H-fluoren-3-yl]-9-phenyl-8-(9-phenylcarbazol-1-yl)carbazole

C167H104N10 — CID 126630676

IUPAC1-[9-[3-[2,6-bis[3-[3-[9-phenyl-8-(9-phenylcarbazol-1-yl)carbazol-1-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-9H-fluoren-3-yl]-9-phenyl-8-(9-phenylcarbazol-1-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4cccc5c6cccc(-c7ccc8c(c7)-c7ccccc7C8c7cccc(-c8cc(-c9cccc(-n%10c%11ccccc%11c%11cc(-c%12cccc%13c%14cccc(-c%15cccc%16c%17ccccc%17n(-c%17ccccc%17)c%15%16)c%14n(-c%14ccccc%14)c%12%13)ccc%11%10)c9)nc(-c9cccc(-n%10c%11ccccc%11c%11cc(-c%12cccc%13c%14cccc(-c%15cccc%16c%17ccccc%17n(-c%17ccccc%17)c%15%16)c%14n(-c%14ccccc%14)c%12%13)ccc%11%10)c9)n8)c7)c6n(-c6ccccc6)c45)c32)cc1
InChIInChI=1S/C167H104N10/c1-7-47-111(48-8-1)172-152-88-28-21-62-123(152)130-71-37-77-136(161(130)172)142-83-40-80-139-133-74-34-68-119(158(133)175(164(139)142)114-53-13-4-14-54-114)104-91-94-129-145(100-104)122-61-19-20-67-128(122)157(129)109-45-31-43-107(97-109)148-103-149(108-44-32-59-117(98-108)170-150-86-26-24-65-126(150)146-101-105(92-95-155(146)170)120-69-35-75-134-140-81-41-84-143(165(140)176(159(120)134)115-55-15-5-16-56-115)137-78-38-72-131-124-63-22-29-89-153(124)173(162(131)137)112-49-9-2-10-50-112)169-167(168-148)110-46-33-60-118(99-110)171-151-87-27-25-66-127(151)147-102-106(93-96-156(147)171)121-70-36-76-135-141-82-42-85-144(166(141)177(160(121)135)116-57-17-6-18-58-116)138-79-39-73-132-125-64-23-30-90-154(125)174(163(132)138)113-51-11-3-12-52-113/h1-103,157H
InChIKeyRHRWYFMICMLGQD-UHFFFAOYSA-N
MW2250.74 g/mol
LogP43.42
Rot. Bonds18

About 1-[9-[3-[2,6-bis[3-[3-[9-phenyl-8-(9-phenylcarbazol-1-yl)carbazol-1-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-9H-fluoren-3-yl]-9-phenyl-8-(9-phenylcarbazol-1-yl)carbazole

1-[9-[3-[2,6-bis[3-[3-[9-phenyl-8-(9-phenylcarbazol-1-yl)carbazol-1-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-9H-fluoren-3-yl]-9-phenyl-8-(9-phenylcarbazol-1-yl)carbazole (PubChem CID 126630676) has the molecular formula C167H104N10 and a molecular weight of 2250.74 g/mol. Its IUPAC name is 1-[9-[3-[2,6-bis[3-[3-[9-phenyl-8-(9-phenylcarbazol-1-yl)carbazol-1-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-9H-fluoren-3-yl]-9-phenyl-8-(9-phenylcarbazol-1-yl)carbazole.

Molecular Properties

Compound Name1-[9-[3-[2,6-bis[3-[3-[9-phenyl-8-(9-phenylcarbazol-1-yl)carbazol-1-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-9H-fluoren-3-yl]-9-phenyl-8-(9-phenylcarbazol-1-yl)carbazole
PubChem CID126630676
Molecular FormulaC167H104N10
Molecular Weight2250.74 g/mol
Exact Mass2248.84
IUPAC Name1-[9-[3-[2,6-bis[3-[3-[9-phenyl-8-(9-phenylcarbazol-1-yl)carbazol-1-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-9H-fluoren-3-yl]-9-phenyl-8-(9-phenylcarbazol-1-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4cccc5c6cccc(-c7ccc8c(c7)-c7ccccc7C8c7cccc(-c8cc(-c9cccc(-n%10c%11ccccc%11c%11cc(-c%12cccc%13c%14cccc(-c%15cccc%16c%17ccccc%17n(-c%17ccccc%17)c%15%16)c%14n(-c%14ccccc%14)c%12%13)ccc%11%10)c9)nc(-c9cccc(-n%10c%11ccccc%11c%11cc(-c%12cccc%13c%14cccc(-c%15cccc%16c%17ccccc%17n(-c%17ccccc%17)c%15%16)c%14n(-c%14ccccc%14)c%12%13)ccc%11%10)c9)n8)c7)c6n(-c6ccccc6)c45)c32)cc1
InChIInChI=1S/C167H104N10/c1-7-47-111(48-8-1)172-152-88-28-21-62-123(152)130-71-37-77-136(161(130)172)142-83-40-80-139-133-74-34-68-119(158(133)175(164(139)142)114-53-13-4-14-54-114)104-91-94-129-145(100-104)122-61-19-20-67-128(122)157(129)109-45-31-43-107(97-109)148-103-149(108-44-32-59-117(98-108)170-150-86-26-24-65-126(150)146-101-105(92-95-155(146)170)120-69-35-75-134-140-81-41-84-143(165(140)176(159(120)134)115-55-15-5-16-56-115)137-78-38-72-131-124-63-22-29-89-153(124)173(162(131)137)112-49-9-2-10-50-112)169-167(168-148)110-46-33-60-118(99-110)171-151-87-27-25-66-127(151)147-102-106(93-96-156(147)171)121-70-36-76-135-141-82-42-85-144(166(141)177(160(121)135)116-57-17-6-18-58-116)138-79-39-73-132-125-64-23-30-90-154(125)174(163(132)138)113-51-11-3-12-52-113/h1-103,157H
InChIKeyRHRWYFMICMLGQD-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 1-[9-[3-[2,6-bis[3-[3-[9-phenyl-8-(9-phenylcarbazol-1-yl)carbazol-1-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-9H-fluoren-3-yl]-9-phenyl-8-(9-phenylcarbazol-1-yl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[9-[3-[2,6-bis[3-[3-[9-phenyl-8-(9-phenylcarbazol-1-yl)carbazol-1-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-9H-fluoren-3-yl]-9-phenyl-8-(9-phenylcarbazol-1-yl)carbazole?
The IUPAC name of 1-[9-[3-[2,6-bis[3-[3-[9-phenyl-8-(9-phenylcarbazol-1-yl)carbazol-1-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-9H-fluoren-3-yl]-9-phenyl-8-(9-phenylcarbazol-1-yl)carbazole (CID 126630676) is 1-[9-[3-[2,6-bis[3-[3-[9-phenyl-8-(9-phenylcarbazol-1-yl)carbazol-1-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-9H-fluoren-3-yl]-9-phenyl-8-(9-phenylcarbazol-1-yl)carbazole.
What is the SMILES notation for 1-[9-[3-[2,6-bis[3-[3-[9-phenyl-8-(9-phenylcarbazol-1-yl)carbazol-1-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-9H-fluoren-3-yl]-9-phenyl-8-(9-phenylcarbazol-1-yl)carbazole?
The canonical SMILES for 1-[9-[3-[2,6-bis[3-[3-[9-phenyl-8-(9-phenylcarbazol-1-yl)carbazol-1-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-9H-fluoren-3-yl]-9-phenyl-8-(9-phenylcarbazol-1-yl)carbazole is c1ccc(-n2c3ccccc3c3cccc(-c4cccc5c6cccc(-c7ccc8c(c7)-c7ccccc7C8c7cccc(-c8cc(-c9cccc(-n%10c%11ccccc%11c%11cc(-c%12cccc%13c%14cccc(-c%15cccc%16c%17ccccc%17n(-c%17ccccc%17)c%15%16)c%14n(-c%14ccccc%14)c%12%13)ccc%11%10)c9)nc(-c9cccc(-n%10c%11ccccc%11c%11cc(-c%12cccc%13c%14cccc(-c%15cccc%16c%17ccccc%17n(-c%17ccccc%17)c%15%16)c%14n(-c%14ccccc%14)c%12%13)ccc%11%10)c9)n8)c7)c6n(-c6ccccc6)c45)c32)cc1.
What is the InChIKey of 1-[9-[3-[2,6-bis[3-[3-[9-phenyl-8-(9-phenylcarbazol-1-yl)carbazol-1-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-9H-fluoren-3-yl]-9-phenyl-8-(9-phenylcarbazol-1-yl)carbazole?
The InChIKey is RHRWYFMICMLGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C167H104N10/c1-7-47-111(48-8-1)172-152-88-28-21-62-123(152)130-71-37-77-136(161(130)172)142-83-40-80-139-133-74-34-68-119(158(133)175(164(139)142)114-53-13-4-14-54-114)104-91-94-129-145(100-104)122-61-19-20-67-128(122)157(129)109-45-31-43-107(97-109)148-103-149(108-44-32-59-117(98-108)170-150-86-26-24-65-126(150)146-101-105(92-95-155(146)170)120-69-35-75-134-140-81-41-84-143(165(140)176(159(120)134)115-55-15-5-16-56-115)137-78-38-72-131-124-63-22-29-89-153(124)173(162(131)137)112-49-9-2-10-50-112)169-167(168-148)110-46-33-60-118(99-110)171-151-87-27-25-66-127(151)147-102-106(93-96-156(147)171)121-70-36-76-135-141-82-42-85-144(166(141)177(160(121)135)116-57-17-6-18-58-116)138-79-39-73-132-125-64-23-30-90-154(125)174(163(132)138)113-51-11-3-12-52-113/h1-103,157H.
What are the key properties of 1-[9-[3-[2,6-bis[3-[3-[9-phenyl-8-(9-phenylcarbazol-1-yl)carbazol-1-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-9H-fluoren-3-yl]-9-phenyl-8-(9-phenylcarbazol-1-yl)carbazole?
1-[9-[3-[2,6-bis[3-[3-[9-phenyl-8-(9-phenylcarbazol-1-yl)carbazol-1-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-9H-fluoren-3-yl]-9-phenyl-8-(9-phenylcarbazol-1-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 1-[9-[3-[2,6-bis[3-[3-[9-phenyl-8-(9-phenylcarbazol-1-yl)carbazol-1-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-9H-fluoren-3-yl]-9-phenyl-8-(9-phenylcarbazol-1-yl)carbazole is sourced from PubChem (CID 126630676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).