5-[4-[4-naphthalen-2-yl-6-[3-[21-phenyl-5-[9-phenyl-6-[21-[4-(4-phenylphenyl)quinazolin-2-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaen-17-yl]carbazol-2-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15(20),16,18,22-undecaen-17-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-17-[9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15(20),16,18,22-undecaene

C178H102N14O3 — CID 170351060

About 5-[4-[4-naphthalen-2-yl-6-[3-[21-phenyl-5-[9-phenyl-6-[21-[4-(4-phenylphenyl)quinazolin-2-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaen-17-yl]carbazol-2-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15(20),16,18,22-undecaen-17-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-17-[9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15(20),16,18,22-undecaene

5-[4-[4-naphthalen-2-yl-6-[3-[21-phenyl-5-[9-phenyl-6-[21-[4-(4-phenylphenyl)quinazolin-2-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaen-17-yl]carbazol-2-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15(20),16,18,22-undecaen-17-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-17-[9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15(20),16,18,22-undecaene (PubChem CID 170351060) has the molecular formula C178H102N14O3 and a molecular weight of 2484.87 g/mol. Its IUPAC name is 5-[4-[4-naphthalen-2-yl-6-[3-[21-phenyl-5-[9-phenyl-6-[21-[4-(4-phenylphenyl)quinazolin-2-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaen-17-yl]carbazol-2-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15(20),16,18,22-undecaen-17-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-17-[9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15(20),16,18,22-undecaene.

Molecular Properties

• Compound Name: 5-[4-[4-naphthalen-2-yl-6-[3-[21-phenyl-5-[9-phenyl-6-[21-[4-(4-phenylphenyl)quinazolin-2-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaen-17-yl]carbazol-2-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15(20),16,18,22-undecaen-17-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-17-[9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15(20),16,18,22-undecaene
• PubChem CID: 170351060
• Molecular Formula: C178H102N14O3
• Molecular Weight: 2484.87 g/mol
• Exact Mass: 2482.83
• IUPAC Name: 5-[4-[4-naphthalen-2-yl-6-[3-[21-phenyl-5-[9-phenyl-6-[21-[4-(4-phenylphenyl)quinazolin-2-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaen-17-yl]carbazol-2-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15(20),16,18,22-undecaen-17-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-17-[9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15(20),16,18,22-undecaene
• SMILES: c1ccc(-c2ccc(-c3nc(-n4c5ccc(-c6ccc7c(c6)c6ccc(-c8ccc9c(c8)Oc8cc%10c(c%11cccc-9c8%11)c8cc(-c9ccc%11c(c9)c9ccccc9n%11-c9nc(-c%11ccc(-c%12ccc%13c(c%12)Oc%12cc%14c(c%15cccc-%13c%12%15)c%12cc(-c%13ccc%15c(c%13)c%13ccccc%13n%15-c%13nc(-c%15ccccc%15)nc(-c%15cccc%16ccccc%15%16)n%13)ccc%12n%14-c%12ccccc%12)cc%11)nc(-c%11ccc%12ccccc%12c%11)n9)ccc8n%10-c8ccccc8)cc6n7-c6ccccc6)cc5c5c6cccc7c6c(cc54)Oc4ccccc4-7)nc4ccccc34)cc2)cc1
• InChI: InChI=1S/C178H102N14O3/c1-6-32-103(33-7-1)105-62-67-108(68-63-105)171-136-50-20-24-58-146(136)179-176(180-171)192-154-89-80-117(96-145(154)167-139-57-29-51-132-129-49-23-27-61-159(129)193-162(168(132)139)102-158(167)192)112-75-84-149-142(93-112)128-81-72-118(97-155(128)187(149)122-40-10-3-11-41-122)120-74-83-131-134-53-31-56-138-166-144-94-115(78-87-153(144)189(124-44-14-5-15-45-124)157(166)101-164(170(134)138)195-161(131)99-120)113-76-85-150-140(91-113)126-47-21-25-59-147(126)190(150)177-184-173(181-174(185-177)121-71-66-104-34-16-17-38-111(104)90-121)110-69-64-106(65-70-110)119-73-82-130-133-52-30-55-137-165-143-95-116(79-88-152(143)188(123-42-12-4-13-43-123)156(165)100-163(169(133)137)194-160(130)98-119)114-77-86-151-141(92-114)127-48-22-26-60-148(127)191(151)178-183-172(109-36-8-2-9-37-109)182-175(186-178)135-54-28-39-107-35-18-19-46-125(107)135/h1-102H
• InChIKey: LYPADUCSNFDZIX-UHFFFAOYSA-N
• XLogP: 46.00
• TPSA: 160.39 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 17
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2484.87
LogP ≤ 5	46.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-naphthalen-2-yl-6-[3-[21-phenyl-5-[9-phenyl-6-[21-[4-(4-phenylphenyl)quinazolin-2-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaen-17-yl]carbazol-2-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15(20),16,18,22-undecaen-17-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-17-[9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15(20),16,18,22-undecaene?

The IUPAC name of 5-[4-[4-naphthalen-2-yl-6-[3-[21-phenyl-5-[9-phenyl-6-[21-[4-(4-phenylphenyl)quinazolin-2-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaen-17-yl]carbazol-2-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15(20),16,18,22-undecaen-17-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-17-[9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15(20),16,18,22-undecaene (CID 170351060) is 5-[4-[4-naphthalen-2-yl-6-[3-[21-phenyl-5-[9-phenyl-6-[21-[4-(4-phenylphenyl)quinazolin-2-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaen-17-yl]carbazol-2-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15(20),16,18,22-undecaen-17-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-17-[9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15(20),16,18,22-undecaene.

What is the SMILES notation for 5-[4-[4-naphthalen-2-yl-6-[3-[21-phenyl-5-[9-phenyl-6-[21-[4-(4-phenylphenyl)quinazolin-2-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaen-17-yl]carbazol-2-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15(20),16,18,22-undecaen-17-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-17-[9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15(20),16,18,22-undecaene?

The canonical SMILES for 5-[4-[4-naphthalen-2-yl-6-[3-[21-phenyl-5-[9-phenyl-6-[21-[4-(4-phenylphenyl)quinazolin-2-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaen-17-yl]carbazol-2-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15(20),16,18,22-undecaen-17-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-17-[9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15(20),16,18,22-undecaene is c1ccc(-c2ccc(-c3nc(-n4c5ccc(-c6ccc7c(c6)c6ccc(-c8ccc9c(c8)Oc8cc%10c(c%11cccc-9c8%11)c8cc(-c9ccc%11c(c9)c9ccccc9n%11-c9nc(-c%11ccc(-c%12ccc%13c(c%12)Oc%12cc%14c(c%15cccc-%13c%12%15)c%12cc(-c%13ccc%15c(c%13)c%13ccccc%13n%15-c%13nc(-c%15ccccc%15)nc(-c%15cccc%16ccccc%15%16)n%13)ccc%12n%14-c%12ccccc%12)cc%11)nc(-c%11ccc%12ccccc%12c%11)n9)ccc8n%10-c8ccccc8)cc6n7-c6ccccc6)cc5c5c6cccc7c6c(cc54)Oc4ccccc4-7)nc4ccccc34)cc2)cc1.

What is the InChIKey of 5-[4-[4-naphthalen-2-yl-6-[3-[21-phenyl-5-[9-phenyl-6-[21-[4-(4-phenylphenyl)quinazolin-2-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaen-17-yl]carbazol-2-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15(20),16,18,22-undecaen-17-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-17-[9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15(20),16,18,22-undecaene?

The InChIKey is LYPADUCSNFDZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C178H102N14O3/c1-6-32-103(33-7-1)105-62-67-108(68-63-105)171-136-50-20-24-58-146(136)179-176(180-171)192-154-89-80-117(96-145(154)167-139-57-29-51-132-129-49-23-27-61-159(129)193-162(168(132)139)102-158(167)192)112-75-84-149-142(93-112)128-81-72-118(97-155(128)187(149)122-40-10-3-11-41-122)120-74-83-131-134-53-31-56-138-166-144-94-115(78-87-153(144)189(124-44-14-5-15-45-124)157(166)101-164(170(134)138)195-161(131)99-120)113-76-85-150-140(91-113)126-47-21-25-59-147(126)190(150)177-184-173(181-174(185-177)121-71-66-104-34-16-17-38-111(104)90-121)110-69-64-106(65-70-110)119-73-82-130-133-52-30-55-137-165-143-95-116(79-88-152(143)188(123-42-12-4-13-43-123)156(165)100-163(169(133)137)194-160(130)98-119)114-77-86-151-141(92-114)127-48-22-26-60-148(127)191(151)178-183-172(109-36-8-2-9-37-109)182-175(186-178)135-54-28-39-107-35-18-19-46-125(107)135/h1-102H.

What are the key properties of 5-[4-[4-naphthalen-2-yl-6-[3-[21-phenyl-5-[9-phenyl-6-[21-[4-(4-phenylphenyl)quinazolin-2-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaen-17-yl]carbazol-2-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15(20),16,18,22-undecaen-17-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-17-[9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15(20),16,18,22-undecaene?

5-[4-[4-naphthalen-2-yl-6-[3-[21-phenyl-5-[9-phenyl-6-[21-[4-(4-phenylphenyl)quinazolin-2-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaen-17-yl]carbazol-2-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15(20),16,18,22-undecaen-17-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-17-[9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15(20),16,18,22-undecaene has a molecular weight of 2484.87 g/mol, XLogP of 46.00, 17 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-naphthalen-2-yl-6-[3-[21-phenyl-5-[9-phenyl-6-[21-[4-(4-phenylphenyl)quinazolin-2-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaen-17-yl]carbazol-2-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15(20),16,18,22-undecaen-17-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-17-[9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15(20),16,18,22-undecaene is sourced from PubChem (CID 170351060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).