21-phenyl-17-[10-(4-phenylphenyl)anthracen-9-yl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene]

C64H39NO — CID 164737400

IUPAC21-phenyl-17-[10-(4-phenylphenyl)anthracen-9-yl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene]
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)nc(-c4ccccc4)c4cc6c(cc45)C4(c5ccccc5Oc5ccccc54)c4ccccc4-6)c4ccccc34)cc2)cc1
InChIInChI=1S/C64H39NO/c1-3-17-40(18-4-1)41-31-33-42(34-32-41)61-47-22-7-9-24-49(47)62(50-25-10-8-23-48(50)61)44-35-36-46-51-39-57-52(38-53(51)63(65-58(46)37-44)43-19-5-2-6-20-43)45-21-11-12-26-54(45)64(57)55-27-13-15-29-59(55)66-60-30-16-14-28-56(60)64/h1-39H
InChIKeyAPPXGPLVGRHOAT-UHFFFAOYSA-N
MW838.02 g/mol
LogP16.83
Rot. Bonds4

About 21-phenyl-17-[10-(4-phenylphenyl)anthracen-9-yl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene]

21-phenyl-17-[10-(4-phenylphenyl)anthracen-9-yl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene] (PubChem CID 164737400) has the molecular formula C64H39NO and a molecular weight of 838.02 g/mol. Its IUPAC name is 21-phenyl-17-[10-(4-phenylphenyl)anthracen-9-yl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene].

Molecular Properties

Compound Name21-phenyl-17-[10-(4-phenylphenyl)anthracen-9-yl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene]
PubChem CID164737400
Molecular FormulaC64H39NO
Molecular Weight838.02 g/mol
Exact Mass837.30
IUPAC Name21-phenyl-17-[10-(4-phenylphenyl)anthracen-9-yl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene]
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)nc(-c4ccccc4)c4cc6c(cc45)C4(c5ccccc5Oc5ccccc54)c4ccccc4-6)c4ccccc34)cc2)cc1
InChIInChI=1S/C64H39NO/c1-3-17-40(18-4-1)41-31-33-42(34-32-41)61-47-22-7-9-24-49(47)62(50-25-10-8-23-48(50)61)44-35-36-46-51-39-57-52(38-53(51)63(65-58(46)37-44)43-19-5-2-6-20-43)45-21-11-12-26-54(45)64(57)55-27-13-15-29-59(55)66-60-30-16-14-28-56(60)64/h1-39H
InChIKeyAPPXGPLVGRHOAT-UHFFFAOYSA-N
XLogP16.83
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.02
LogP ≤ 516.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 21-phenyl-17-[10-(4-phenylphenyl)anthracen-9-yl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene] with MolForge

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Related Compounds

21-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-xanthene]
CID 146615620
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene];6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene]
CID 163631721
14-(4-bromophenyl)spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-xanthene]
CID 146615710
3-(2,6-diphenylpyrimidin-4-yl)-6-phenylspiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene]
CID 146613056
21-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-xanthene]
CID 152788019
21-[4-(4-diphenylphosphorylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-xanthene]
CID 164737333
6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene]
CID 146613600
6-[4-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)phenyl]spiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene];6-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]spiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene]
CID 163719932
2,2'-bis(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]
CID 59096369
17-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene]
CID 164737257
21-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-xanthene]
CID 147719611
6-phenyl-2-(4-triphenylen-2-ylphenyl)spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-(3-triphenylen-2-ylphenyl)spiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene];6-(4-triphenylen-2-ylphenyl)spiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene]
CID 163588027

Frequently Asked Questions

What is the IUPAC name of 21-phenyl-17-[10-(4-phenylphenyl)anthracen-9-yl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene]?
The IUPAC name of 21-phenyl-17-[10-(4-phenylphenyl)anthracen-9-yl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene] (CID 164737400) is 21-phenyl-17-[10-(4-phenylphenyl)anthracen-9-yl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene].
What is the SMILES notation for 21-phenyl-17-[10-(4-phenylphenyl)anthracen-9-yl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene]?
The canonical SMILES for 21-phenyl-17-[10-(4-phenylphenyl)anthracen-9-yl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene] is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)nc(-c4ccccc4)c4cc6c(cc45)C4(c5ccccc5Oc5ccccc54)c4ccccc4-6)c4ccccc34)cc2)cc1.
What is the InChIKey of 21-phenyl-17-[10-(4-phenylphenyl)anthracen-9-yl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene]?
The InChIKey is APPXGPLVGRHOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H39NO/c1-3-17-40(18-4-1)41-31-33-42(34-32-41)61-47-22-7-9-24-49(47)62(50-25-10-8-23-48(50)61)44-35-36-46-51-39-57-52(38-53(51)63(65-58(46)37-44)43-19-5-2-6-20-43)45-21-11-12-26-54(45)64(57)55-27-13-15-29-59(55)66-60-30-16-14-28-56(60)64/h1-39H.
What are the key properties of 21-phenyl-17-[10-(4-phenylphenyl)anthracen-9-yl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene]?
21-phenyl-17-[10-(4-phenylphenyl)anthracen-9-yl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene] has a molecular weight of 838.02 g/mol, XLogP of 16.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 21-phenyl-17-[10-(4-phenylphenyl)anthracen-9-yl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene] is sourced from PubChem (CID 164737400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).