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

C166H103N11 — CID 126630464

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

3-[9-[4-[2,6-bis[3-[2-[9-phenyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazol-2-yl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole (PubChem CID 126630464) has the molecular formula C166H103N11 and a molecular weight of 2251.73 g/mol. Its IUPAC name is 3-[9-[4-[2,6-bis[3-[2-[9-phenyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazol-2-yl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole.

Molecular Properties

• Compound Name: 3-[9-[4-[2,6-bis[3-[2-[9-phenyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazol-2-yl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole
• PubChem CID: 126630464
• Molecular Formula: C166H103N11
• Molecular Weight: 2251.73 g/mol
• Exact Mass: 2249.84
• IUPAC Name: 3-[9-[4-[2,6-bis[3-[2-[9-phenyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazol-2-yl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole
• SMILES: c1ccc(-n2c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3c3cc(-c4ccc5c6ccccc6n(-c6ccc(-c7cc(-c8cccc(-n9c%10ccccc%10c%10ccc(-c%11ccc%12c(c%11)c%11cc(-c%13ccc%14c%15ccccc%15n(-c%15ccccc%15)c%14c%13)ccc%11n%12-c%11ccccc%11)cc%109)c8)nc(-c8cccc(-n9c%10ccccc%10c%10ccc(-c%11ccc%12c(c%11)c%11cc(-c%13ccc%14c%15ccccc%15n(-c%15ccccc%15)c%14c%13)ccc%11n%12-c%11ccccc%11)cc%109)c8)n7)cc6)c5c4)ccc32)cc1
• InChI: InChI=1S/C166H103N11/c1-7-35-119(36-8-1)169-154-83-69-105(111-63-77-134-128-49-19-25-55-148(128)172(160(134)97-111)122-41-13-4-14-42-122)91-140(154)143-94-108(72-86-157(143)169)114-66-80-137-131-52-22-28-58-151(131)175(163(137)100-114)125-75-61-104(62-76-125)146-103-147(117-33-31-47-126(89-117)176-152-59-29-23-53-132(152)138-81-67-115(101-164(138)176)109-73-87-158-144(95-109)141-92-106(70-84-155(141)170(158)120-37-9-2-10-38-120)112-64-78-135-129-50-20-26-56-149(129)173(161(135)98-112)123-43-15-5-16-44-123)168-166(167-146)118-34-32-48-127(90-118)177-153-60-30-24-54-133(153)139-82-68-116(102-165(139)177)110-74-88-159-145(96-110)142-93-107(71-85-156(142)171(159)121-39-11-3-12-40-121)113-65-79-136-130-51-21-27-57-150(130)174(162(136)99-113)124-45-17-6-18-46-124/h1-103H
• InChIKey: JBBYFEQUXQFDGQ-UHFFFAOYSA-N
• XLogP: 43.35
• TPSA: 70.15 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 18
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2251.73
LogP ≤ 5	43.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-[2,6-bis[3-[2-[9-phenyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazol-2-yl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole?

The IUPAC name of 3-[9-[4-[2,6-bis[3-[2-[9-phenyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazol-2-yl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole (CID 126630464) is 3-[9-[4-[2,6-bis[3-[2-[9-phenyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazol-2-yl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole.

What is the SMILES notation for 3-[9-[4-[2,6-bis[3-[2-[9-phenyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazol-2-yl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole?

The canonical SMILES for 3-[9-[4-[2,6-bis[3-[2-[9-phenyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazol-2-yl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole is c1ccc(-n2c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3c3cc(-c4ccc5c6ccccc6n(-c6ccc(-c7cc(-c8cccc(-n9c%10ccccc%10c%10ccc(-c%11ccc%12c(c%11)c%11cc(-c%13ccc%14c%15ccccc%15n(-c%15ccccc%15)c%14c%13)ccc%11n%12-c%11ccccc%11)cc%109)c8)nc(-c8cccc(-n9c%10ccccc%10c%10ccc(-c%11ccc%12c(c%11)c%11cc(-c%13ccc%14c%15ccccc%15n(-c%15ccccc%15)c%14c%13)ccc%11n%12-c%11ccccc%11)cc%109)c8)n7)cc6)c5c4)ccc32)cc1.

What is the InChIKey of 3-[9-[4-[2,6-bis[3-[2-[9-phenyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazol-2-yl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole?

The InChIKey is JBBYFEQUXQFDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C166H103N11/c1-7-35-119(36-8-1)169-154-83-69-105(111-63-77-134-128-49-19-25-55-148(128)172(160(134)97-111)122-41-13-4-14-42-122)91-140(154)143-94-108(72-86-157(143)169)114-66-80-137-131-52-22-28-58-151(131)175(163(137)100-114)125-75-61-104(62-76-125)146-103-147(117-33-31-47-126(89-117)176-152-59-29-23-53-132(152)138-81-67-115(101-164(138)176)109-73-87-158-144(95-109)141-92-106(70-84-155(141)170(158)120-37-9-2-10-38-120)112-64-78-135-129-50-20-26-56-149(129)173(161(135)98-112)123-43-15-5-16-44-123)168-166(167-146)118-34-32-48-127(90-118)177-153-60-30-24-54-133(153)139-82-68-116(102-165(139)177)110-74-88-159-145(96-110)142-93-107(71-85-156(142)171(159)121-39-11-3-12-40-121)113-65-79-136-130-51-21-27-57-150(130)174(162(136)99-113)124-45-17-6-18-46-124/h1-103H.

What are the key properties of 3-[9-[4-[2,6-bis[3-[2-[9-phenyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazol-2-yl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole?

3-[9-[4-[2,6-bis[3-[2-[9-phenyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazol-2-yl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole has a molecular weight of 2251.73 g/mol, XLogP of 43.35, 18 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-[4-[2,6-bis[3-[2-[9-phenyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazol-2-yl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole is sourced from PubChem (CID 126630464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).