13'-[4-(1-phenylbenzimidazol-2-yl)phenyl]-4-[4-[phenyl-(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-13,7'-chromeno[2,3-a]carbazole]-13'-ylphenyl)phosphoryl]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]

C111H67N6O3P — CID 134353482

About 13'-[4-(1-phenylbenzimidazol-2-yl)phenyl]-4-[4-[phenyl-(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-13,7'-chromeno[2,3-a]carbazole]-13'-ylphenyl)phosphoryl]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'-[4-(1-phenylbenzimidazol-2-yl)phenyl]-4-[4-[phenyl-(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-13,7'-chromeno[2,3-a]carbazole]-13'-ylphenyl)phosphoryl]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] (PubChem CID 134353482) has the molecular formula C111H67N6O3P and a molecular weight of 1563.77 g/mol. Its IUPAC name is 13'-[4-(1-phenylbenzimidazol-2-yl)phenyl]-4-[4-[phenyl-(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-13,7'-chromeno[2,3-a]carbazole]-13'-ylphenyl)phosphoryl]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].

Molecular Properties

• Compound Name: 13'-[4-(1-phenylbenzimidazol-2-yl)phenyl]-4-[4-[phenyl-(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-13,7'-chromeno[2,3-a]carbazole]-13'-ylphenyl)phosphoryl]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]
• PubChem CID: 134353482
• Molecular Formula: C111H67N6O3P
• Molecular Weight: 1563.77 g/mol
• Exact Mass: 1562.50
• IUPAC Name: 13'-[4-(1-phenylbenzimidazol-2-yl)phenyl]-4-[4-[phenyl-(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-13,7'-chromeno[2,3-a]carbazole]-13'-ylphenyl)phosphoryl]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]
• SMILES: O=P(c1ccccc1)(c1ccc(-c2ccc3c4cccc5c4n(c3c2)-c2ccccc2C52c3ccccc3Oc3c2ccc2c4ccccc4n(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c32)cc1)c1ccc(-n2c3ccccc3c3ccc4c(c32)Oc2ccccc2C42c3ccccc3-n3c4ccccc4c4cccc2c43)cc1
• InChI: InChI=1S/C111H67N6O3P/c118-121(74-27-5-2-6-28-74,76-60-56-73(57-61-76)114-95-42-16-8-31-79(95)84-64-65-91-108(106(84)114)120-101-47-21-12-36-87(101)110(91)85-34-10-18-44-97(85)116-96-43-17-9-29-77(96)81-32-23-38-89(110)103(81)116)75-58-51-68(52-59-75)70-53-62-80-82-33-24-39-90-104(82)117(100(80)67-70)98-45-19-11-35-86(98)111(90)88-37-13-22-48-102(88)119-107-92(111)66-63-83-78-30-7-15-41-94(78)113(105(83)107)72-54-49-69(50-55-72)109-112-93-40-14-20-46-99(93)115(109)71-25-3-1-4-26-71/h1-67H
• InChIKey: CREMOUGGMXCGFC-UHFFFAOYSA-N
• XLogP: 25.99
• TPSA: 73.07 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1563.77
LogP ≤ 5	25.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 13'-[4-(1-phenylbenzimidazol-2-yl)phenyl]-4-[4-[phenyl-(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-13,7'-chromeno[2,3-a]carbazole]-13'-ylphenyl)phosphoryl]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]?

The IUPAC name of 13'-[4-(1-phenylbenzimidazol-2-yl)phenyl]-4-[4-[phenyl-(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-13,7'-chromeno[2,3-a]carbazole]-13'-ylphenyl)phosphoryl]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] (CID 134353482) is 13'-[4-(1-phenylbenzimidazol-2-yl)phenyl]-4-[4-[phenyl-(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-13,7'-chromeno[2,3-a]carbazole]-13'-ylphenyl)phosphoryl]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].

What is the SMILES notation for 13'-[4-(1-phenylbenzimidazol-2-yl)phenyl]-4-[4-[phenyl-(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-13,7'-chromeno[2,3-a]carbazole]-13'-ylphenyl)phosphoryl]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]?

The canonical SMILES for 13'-[4-(1-phenylbenzimidazol-2-yl)phenyl]-4-[4-[phenyl-(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-13,7'-chromeno[2,3-a]carbazole]-13'-ylphenyl)phosphoryl]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] is O=P(c1ccccc1)(c1ccc(-c2ccc3c4cccc5c4n(c3c2)-c2ccccc2C52c3ccccc3Oc3c2ccc2c4ccccc4n(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c32)cc1)c1ccc(-n2c3ccccc3c3ccc4c(c32)Oc2ccccc2C42c3ccccc3-n3c4ccccc4c4cccc2c43)cc1.

What is the InChIKey of 13'-[4-(1-phenylbenzimidazol-2-yl)phenyl]-4-[4-[phenyl-(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-13,7'-chromeno[2,3-a]carbazole]-13'-ylphenyl)phosphoryl]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]?

The InChIKey is CREMOUGGMXCGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C111H67N6O3P/c118-121(74-27-5-2-6-28-74,76-60-56-73(57-61-76)114-95-42-16-8-31-79(95)84-64-65-91-108(106(84)114)120-101-47-21-12-36-87(101)110(91)85-34-10-18-44-97(85)116-96-43-17-9-29-77(96)81-32-23-38-89(110)103(81)116)75-58-51-68(52-59-75)70-53-62-80-82-33-24-39-90-104(82)117(100(80)67-70)98-45-19-11-35-86(98)111(90)88-37-13-22-48-102(88)119-107-92(111)66-63-83-78-30-7-15-41-94(78)113(105(83)107)72-54-49-69(50-55-72)109-112-93-40-14-20-46-99(93)115(109)71-25-3-1-4-26-71/h1-67H.

What are the key properties of 13'-[4-(1-phenylbenzimidazol-2-yl)phenyl]-4-[4-[phenyl-(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-13,7'-chromeno[2,3-a]carbazole]-13'-ylphenyl)phosphoryl]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'-[4-(1-phenylbenzimidazol-2-yl)phenyl]-4-[4-[phenyl-(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-13,7'-chromeno[2,3-a]carbazole]-13'-ylphenyl)phosphoryl]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] has a molecular weight of 1563.77 g/mol, XLogP of 25.99, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 13'-[4-(1-phenylbenzimidazol-2-yl)phenyl]-4-[4-[phenyl-(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-13,7'-chromeno[2,3-a]carbazole]-13'-ylphenyl)phosphoryl]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] is sourced from PubChem (CID 134353482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).