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

C170H105N11 — CID 126630568

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

9-[3-[2,6-bis[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole (PubChem CID 126630568) has the molecular formula C170H105N11 and a molecular weight of 2301.79 g/mol. Its IUPAC name is 9-[3-[2,6-bis[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole.

Molecular Properties

• Compound Name: 9-[3-[2,6-bis[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
• PubChem CID: 126630568
• Molecular Formula: C170H105N11
• Molecular Weight: 2301.79 g/mol
• Exact Mass: 2299.86
• IUPAC Name: 9-[3-[2,6-bis[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
• SMILES: c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc4n5-c4ccc(-c5ccc6nc(-c7ccc(-n8c9ccc(-c%10ccc%11c%12ccccc%12n(-c%12ccccc%12)c%11c%10)cc9c9cc(-c%10ccc%11c%12ccccc%12n(-c%12ccccc%12)c%11c%10)ccc98)cc7)nc(-c7cccc(-n8c9ccc(-c%10ccc%11c%12ccccc%12n(-c%12ccccc%12)c%11c%10)cc9c9cc(-c%10ccc%11c%12ccccc%12n(-c%12ccccc%12)c%11c%10)ccc98)c7)c6c5)cc4)cc32)cc1
• InChI: InChI=1S/C170H105N11/c1-7-33-122(34-8-1)175-151-52-25-19-46-131(151)137-79-62-115(100-163(137)175)109-69-86-157-143(93-109)144-94-110(116-63-80-138-132-47-20-26-53-152(132)176(164(138)101-116)123-35-9-2-10-36-123)70-87-158(144)173(157)128-75-58-106(59-76-128)108-68-85-150-149(99-108)169(121-32-31-45-130(92-121)181-161-90-73-113(119-66-83-141-135-50-23-29-56-155(135)179(167(141)104-119)126-41-15-5-16-42-126)97-147(161)148-98-114(74-91-162(148)181)120-67-84-142-136-51-24-30-57-156(136)180(168(142)105-120)127-43-17-6-18-44-127)172-170(171-150)107-60-77-129(78-61-107)174-159-88-71-111(117-64-81-139-133-48-21-27-54-153(133)177(165(139)102-117)124-37-11-3-12-38-124)95-145(159)146-96-112(72-89-160(146)174)118-65-82-140-134-49-22-28-55-154(134)178(166(140)103-118)125-39-13-4-14-40-125/h1-105H
• InChIKey: VVDYEWKZPCAXTI-UHFFFAOYSA-N
• XLogP: 44.51
• TPSA: 70.15 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 18
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2301.79
LogP ≤ 5	44.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 9-[3-[2,6-bis[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole (CID 126630568) is 9-[3-[2,6-bis[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole.

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

The canonical SMILES for 9-[3-[2,6-bis[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole is c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc4n5-c4ccc(-c5ccc6nc(-c7ccc(-n8c9ccc(-c%10ccc%11c%12ccccc%12n(-c%12ccccc%12)c%11c%10)cc9c9cc(-c%10ccc%11c%12ccccc%12n(-c%12ccccc%12)c%11c%10)ccc98)cc7)nc(-c7cccc(-n8c9ccc(-c%10ccc%11c%12ccccc%12n(-c%12ccccc%12)c%11c%10)cc9c9cc(-c%10ccc%11c%12ccccc%12n(-c%12ccccc%12)c%11c%10)ccc98)c7)c6c5)cc4)cc32)cc1.

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

The InChIKey is VVDYEWKZPCAXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C170H105N11/c1-7-33-122(34-8-1)175-151-52-25-19-46-131(151)137-79-62-115(100-163(137)175)109-69-86-157-143(93-109)144-94-110(116-63-80-138-132-47-20-26-53-152(132)176(164(138)101-116)123-35-9-2-10-36-123)70-87-158(144)173(157)128-75-58-106(59-76-128)108-68-85-150-149(99-108)169(121-32-31-45-130(92-121)181-161-90-73-113(119-66-83-141-135-50-23-29-56-155(135)179(167(141)104-119)126-41-15-5-16-42-126)97-147(161)148-98-114(74-91-162(148)181)120-67-84-142-136-51-24-30-57-156(136)180(168(142)105-120)127-43-17-6-18-44-127)172-170(171-150)107-60-77-129(78-61-107)174-159-88-71-111(117-64-81-139-133-48-21-27-54-153(133)177(165(139)102-117)124-37-11-3-12-38-124)95-145(159)146-96-112(72-89-160(146)174)118-65-82-140-134-49-22-28-55-154(134)178(166(140)103-118)125-39-13-4-14-40-125/h1-105H.

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

9-[3-[2,6-bis[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole has a molecular weight of 2301.79 g/mol, XLogP of 44.51, 18 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[2,6-bis[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole is sourced from PubChem (CID 126630568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).