5'-hydroxy-5'-phenyl-2'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphin-5-ium]

C61H40N2OP+ — CID 146519616

IUPAC5'-hydroxy-5'-phenyl-2'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphin-5-ium]
SMILESO[P+]1(c2ccccc2)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)ccc21
InChIInChI=1S/C61H40N2OP/c64-65(45-18-5-2-6-19-45)58-29-14-10-24-51(58)61(50-23-9-13-28-57(50)63-55-27-12-7-20-46(55)48-22-15-25-52(61)60(48)63)53-39-43(35-37-59(53)65)41-32-30-40(31-33-41)42-34-36-56-49(38-42)47-21-8-11-26-54(47)62(56)44-16-3-1-4-17-44/h1-39,64H/q+1
InChIKeyBYCZFQIWYRHZAR-UHFFFAOYSA-N
MW847.98 g/mol
LogP13.43
Rot. Bonds4

About 5'-hydroxy-5'-phenyl-2'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphin-5-ium]

5'-hydroxy-5'-phenyl-2'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphin-5-ium] (PubChem CID 146519616) has the molecular formula C61H40N2OP+ and a molecular weight of 847.98 g/mol. Its IUPAC name is 5'-hydroxy-5'-phenyl-2'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphin-5-ium].

Molecular Properties

Compound Name5'-hydroxy-5'-phenyl-2'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphin-5-ium]
PubChem CID146519616
Molecular FormulaC61H40N2OP+
Molecular Weight847.98 g/mol
Exact Mass847.29
IUPAC Name5'-hydroxy-5'-phenyl-2'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphin-5-ium]
SMILESO[P+]1(c2ccccc2)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)ccc21
InChIInChI=1S/C61H40N2OP/c64-65(45-18-5-2-6-19-45)58-29-14-10-24-51(58)61(50-23-9-13-28-57(50)63-55-27-12-7-20-46(55)48-22-15-25-52(61)60(48)63)53-39-43(35-37-59(53)65)41-32-30-40(31-33-41)42-34-36-56-49(38-42)47-21-8-11-26-54(47)62(56)44-16-3-1-4-17-44/h1-39,64H/q+1
InChIKeyBYCZFQIWYRHZAR-UHFFFAOYSA-N
XLogP13.43
TPSA30.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.98
LogP ≤ 513.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5'-hydroxy-5'-phenyl-2'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphin-5-ium] with MolForge

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Related Compounds

2'-(4-carbazol-9-ylphenyl)-10',10'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-anthracene]
CID 135140042
5'-phenyl-2'-(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide
CID 135140078
N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)-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-13,9'-fluorene]-2'-ylphenyl)aniline
CID 135166932
N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 167176590
2',7'-bis[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 58510568
10'-[9-(4-phenylphenyl)carbazol-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]
CID 134351751
13,13-diphenyl-5-(9,9,10-triphenylacridin-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 71036448
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
5',5'-dimethyl-2'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline]
CID 140878577
5-(2,6-diphenyl-4-pyridinyl)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-13,9'-fluorene]
CID 90307244

Frequently Asked Questions

What is the IUPAC name of 5'-hydroxy-5'-phenyl-2'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphin-5-ium]?
The IUPAC name of 5'-hydroxy-5'-phenyl-2'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphin-5-ium] (CID 146519616) is 5'-hydroxy-5'-phenyl-2'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphin-5-ium].
What is the SMILES notation for 5'-hydroxy-5'-phenyl-2'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphin-5-ium]?
The canonical SMILES for 5'-hydroxy-5'-phenyl-2'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphin-5-ium] is O[P+]1(c2ccccc2)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)ccc21.
What is the InChIKey of 5'-hydroxy-5'-phenyl-2'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphin-5-ium]?
The InChIKey is BYCZFQIWYRHZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2OP/c64-65(45-18-5-2-6-19-45)58-29-14-10-24-51(58)61(50-23-9-13-28-57(50)63-55-27-12-7-20-46(55)48-22-15-25-52(61)60(48)63)53-39-43(35-37-59(53)65)41-32-30-40(31-33-41)42-34-36-56-49(38-42)47-21-8-11-26-54(47)62(56)44-16-3-1-4-17-44/h1-39,64H/q+1.
What are the key properties of 5'-hydroxy-5'-phenyl-2'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphin-5-ium]?
5'-hydroxy-5'-phenyl-2'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphin-5-ium] has a molecular weight of 847.98 g/mol, XLogP of 13.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-hydroxy-5'-phenyl-2'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphin-5-ium] is sourced from PubChem (CID 146519616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).