N,4-diphenyl-N-[4-[5-[3-[4-(N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)anilino)phenyl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]-13'-yl]phenyl]aniline

C122H76N6O2 — CID 134353448

About N,4-diphenyl-N-[4-[5-[3-[4-(N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)anilino)phenyl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]-13'-yl]phenyl]aniline

N,4-diphenyl-N-[4-[5-[3-[4-(N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)anilino)phenyl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]-13'-yl]phenyl]aniline (PubChem CID 134353448) has the molecular formula C122H76N6O2 and a molecular weight of 1657.99 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-[5-[3-[4-(N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)anilino)phenyl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]-13'-yl]phenyl]aniline.

Molecular Properties

• Compound Name: N,4-diphenyl-N-[4-[5-[3-[4-(N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)anilino)phenyl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]-13'-yl]phenyl]aniline
• PubChem CID: 134353448
• Molecular Formula: C122H76N6O2
• Molecular Weight: 1657.99 g/mol
• Exact Mass: 1656.60
• IUPAC Name: N,4-diphenyl-N-[4-[5-[3-[4-(N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)anilino)phenyl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]-13'-yl]phenyl]aniline
• SMILES: c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5ccc6c(c54)Oc4ccccc4C64c5ccccc5-n5c6ccc(-c7cccc(-c8ccc(N(c9ccccc9)c9ccc(-n%10c%11ccccc%11c%11cc%12c(cc%11%10)Oc%10ccccc%10C%12%10c%11ccccc%11-n%11c%12ccccc%12c%12cccc%10c%12%11)cc9)cc8)c7)cc6c6cccc4c65)cc3)cc2)cc1
• InChI: InChI=1S/C122H76N6O2/c1-4-27-77(28-5-1)78-53-58-85(59-54-78)123(83-31-6-2-7-32-83)88-64-68-90(69-65-88)126-108-47-18-10-36-92(108)96-70-71-105-120(119(96)126)130-115-52-23-16-43-102(115)121(105)99-40-13-20-49-111(99)128-110-72-57-82(74-97(110)95-39-26-44-103(121)118(95)128)81-30-24-29-80(73-81)79-55-60-86(61-56-79)124(84-33-8-3-9-34-84)87-62-66-89(67-63-87)125-107-46-17-12-37-93(107)98-75-106-116(76-113(98)125)129-114-51-22-15-42-101(114)122(106)100-41-14-21-50-112(100)127-109-48-19-11-35-91(109)94-38-25-45-104(122)117(94)127/h1-76H
• InChIKey: MBUKPQFFZWCJFX-UHFFFAOYSA-N
• XLogP: 31.62
• TPSA: 44.66 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1657.99
LogP ≤ 5	31.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-[5-[3-[4-(N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)anilino)phenyl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]-13'-yl]phenyl]aniline?

The IUPAC name of N,4-diphenyl-N-[4-[5-[3-[4-(N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)anilino)phenyl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]-13'-yl]phenyl]aniline (CID 134353448) is N,4-diphenyl-N-[4-[5-[3-[4-(N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)anilino)phenyl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]-13'-yl]phenyl]aniline.

What is the SMILES notation for N,4-diphenyl-N-[4-[5-[3-[4-(N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)anilino)phenyl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]-13'-yl]phenyl]aniline?

The canonical SMILES for N,4-diphenyl-N-[4-[5-[3-[4-(N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)anilino)phenyl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]-13'-yl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5ccc6c(c54)Oc4ccccc4C64c5ccccc5-n5c6ccc(-c7cccc(-c8ccc(N(c9ccccc9)c9ccc(-n%10c%11ccccc%11c%11cc%12c(cc%11%10)Oc%10ccccc%10C%12%10c%11ccccc%11-n%11c%12ccccc%12c%12cccc%10c%12%11)cc9)cc8)c7)cc6c6cccc4c65)cc3)cc2)cc1.

What is the InChIKey of N,4-diphenyl-N-[4-[5-[3-[4-(N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)anilino)phenyl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]-13'-yl]phenyl]aniline?

The InChIKey is MBUKPQFFZWCJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C122H76N6O2/c1-4-27-77(28-5-1)78-53-58-85(59-54-78)123(83-31-6-2-7-32-83)88-64-68-90(69-65-88)126-108-47-18-10-36-92(108)96-70-71-105-120(119(96)126)130-115-52-23-16-43-102(115)121(105)99-40-13-20-49-111(99)128-110-72-57-82(74-97(110)95-39-26-44-103(121)118(95)128)81-30-24-29-80(73-81)79-55-60-86(61-56-79)124(84-33-8-3-9-34-84)87-62-66-89(67-63-87)125-107-46-17-12-37-93(107)98-75-106-116(76-113(98)125)129-114-51-22-15-42-101(114)122(106)100-41-14-21-50-112(100)127-109-48-19-11-35-91(109)94-38-25-45-104(122)117(94)127/h1-76H.

What are the key properties of N,4-diphenyl-N-[4-[5-[3-[4-(N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)anilino)phenyl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]-13'-yl]phenyl]aniline?

N,4-diphenyl-N-[4-[5-[3-[4-(N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)anilino)phenyl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]-13'-yl]phenyl]aniline has a molecular weight of 1657.99 g/mol, XLogP of 31.62, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N,4-diphenyl-N-[4-[5-[3-[4-(N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylphenyl)anilino)phenyl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]-13'-yl]phenyl]aniline is sourced from PubChem (CID 134353448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).