9-[4-[4-[4,6-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3,6-bis(4-carbazol-9-ylphenyl)carbazole

C183H114N12 — CID 101429712

About 9-[4-[4-[4,6-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3,6-bis(4-carbazol-9-ylphenyl)carbazole

9-[4-[4-[4,6-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3,6-bis(4-carbazol-9-ylphenyl)carbazole (PubChem CID 101429712) has the molecular formula C183H114N12 and a molecular weight of 2481.01 g/mol. Its IUPAC name is 9-[4-[4-[4,6-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3,6-bis(4-carbazol-9-ylphenyl)carbazole.

Molecular Properties

• Compound Name: 9-[4-[4-[4,6-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3,6-bis(4-carbazol-9-ylphenyl)carbazole
• PubChem CID: 101429712
• Molecular Formula: C183H114N12
• Molecular Weight: 2481.01 g/mol
• Exact Mass: 2478.93
• IUPAC Name: 9-[4-[4-[4,6-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3,6-bis(4-carbazol-9-ylphenyl)carbazole
• SMILES: c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc2n3-c2ccc(-c3ccc(-c4nc(-c5ccc(-c6ccc(-n7c8ccc(-c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9)cc8c8cc(-c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9)ccc87)cc6)cc5)nc(-c5ccc(-c6ccc(-n7c8ccc(-c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9)cc8c8cc(-c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9)ccc87)cc6)cc5)n4)cc3)cc2)cc1
• InChI: InChI=1S/C183H114N12/c1-13-37-163-145(25-1)146-26-2-14-38-164(146)187(163)136-91-67-121(68-92-136)130-79-103-175-157(109-130)158-110-131(122-69-93-137(94-70-122)188-165-39-15-3-27-147(165)148-28-4-16-40-166(148)188)80-104-176(158)193(175)142-85-61-118(62-86-142)115-49-55-127(56-50-115)181-184-182(128-57-51-116(52-58-128)119-63-87-143(88-64-119)194-177-105-81-132(123-71-95-138(96-72-123)189-167-41-17-5-29-149(167)150-30-6-18-42-168(150)189)111-159(177)160-112-133(82-106-178(160)194)124-73-97-139(98-74-124)190-169-43-19-7-31-151(169)152-32-8-20-44-170(152)190)186-183(185-181)129-59-53-117(54-60-129)120-65-89-144(90-66-120)195-179-107-83-134(125-75-99-140(100-76-125)191-171-45-21-9-33-153(171)154-34-10-22-46-172(154)191)113-161(179)162-114-135(84-108-180(162)195)126-77-101-141(102-78-126)192-173-47-23-11-35-155(173)156-36-12-24-48-174(156)192/h1-114H
• InChIKey: HUPHBIWVFAXEMV-UHFFFAOYSA-N
• XLogP: 47.75
• TPSA: 83.04 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 21
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2481.01
LogP ≤ 5	47.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[4,6-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3,6-bis(4-carbazol-9-ylphenyl)carbazole?

The IUPAC name of 9-[4-[4-[4,6-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3,6-bis(4-carbazol-9-ylphenyl)carbazole (CID 101429712) is 9-[4-[4-[4,6-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3,6-bis(4-carbazol-9-ylphenyl)carbazole.

What is the SMILES notation for 9-[4-[4-[4,6-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3,6-bis(4-carbazol-9-ylphenyl)carbazole?

The canonical SMILES for 9-[4-[4-[4,6-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3,6-bis(4-carbazol-9-ylphenyl)carbazole is c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc2n3-c2ccc(-c3ccc(-c4nc(-c5ccc(-c6ccc(-n7c8ccc(-c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9)cc8c8cc(-c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9)ccc87)cc6)cc5)nc(-c5ccc(-c6ccc(-n7c8ccc(-c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9)cc8c8cc(-c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9)ccc87)cc6)cc5)n4)cc3)cc2)cc1.

What is the InChIKey of 9-[4-[4-[4,6-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3,6-bis(4-carbazol-9-ylphenyl)carbazole?

The InChIKey is HUPHBIWVFAXEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C183H114N12/c1-13-37-163-145(25-1)146-26-2-14-38-164(146)187(163)136-91-67-121(68-92-136)130-79-103-175-157(109-130)158-110-131(122-69-93-137(94-70-122)188-165-39-15-3-27-147(165)148-28-4-16-40-166(148)188)80-104-176(158)193(175)142-85-61-118(62-86-142)115-49-55-127(56-50-115)181-184-182(128-57-51-116(52-58-128)119-63-87-143(88-64-119)194-177-105-81-132(123-71-95-138(96-72-123)189-167-41-17-5-29-149(167)150-30-6-18-42-168(150)189)111-159(177)160-112-133(82-106-178(160)194)124-73-97-139(98-74-124)190-169-43-19-7-31-151(169)152-32-8-20-44-170(152)190)186-183(185-181)129-59-53-117(54-60-129)120-65-89-144(90-66-120)195-179-107-83-134(125-75-99-140(100-76-125)191-171-45-21-9-33-153(171)154-34-10-22-46-172(154)191)113-161(179)162-114-135(84-108-180(162)195)126-77-101-141(102-78-126)192-173-47-23-11-35-155(173)156-36-12-24-48-174(156)192/h1-114H.

What are the key properties of 9-[4-[4-[4,6-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3,6-bis(4-carbazol-9-ylphenyl)carbazole?

9-[4-[4-[4,6-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3,6-bis(4-carbazol-9-ylphenyl)carbazole has a molecular weight of 2481.01 g/mol, XLogP of 47.75, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[4-[4,6-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3,6-bis(4-carbazol-9-ylphenyl)carbazole is sourced from PubChem (CID 101429712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).