10-phenyl-18'-[3-[3-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]phenyl]spiro[acridine-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene]

C65H45N3 — CID 134303840

IUPAC10-phenyl-18'-[3-[3-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]phenyl]spiro[acridine-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene]
SMILESc1ccc(C2NC(c3cccc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7N(c7ccccc7)c7ccccc75)c5c-6c6ccccc6c6ccccc56)c4)c3)Nc3ccccc32)cc1
InChIInChI=1S/C65H45N3/c1-3-19-42(20-4-1)63-54-31-11-14-34-58(54)66-64(67-63)47-24-18-23-45(40-47)43-21-17-22-44(39-43)46-37-38-53-57(41-46)65(62-52-30-10-8-28-50(52)49-27-7-9-29-51(49)61(53)62)55-32-12-15-35-59(55)68(48-25-5-2-6-26-48)60-36-16-13-33-56(60)65/h1-41,63-64,66-67H
InChIKeyWNLIKHVQLSIQJT-UHFFFAOYSA-N
MW868.10 g/mol
LogP16.28
Rot. Bonds5

About 10-phenyl-18'-[3-[3-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]phenyl]spiro[acridine-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene]

10-phenyl-18'-[3-[3-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]phenyl]spiro[acridine-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene] (PubChem CID 134303840) has the molecular formula C65H45N3 and a molecular weight of 868.10 g/mol. Its IUPAC name is 10-phenyl-18'-[3-[3-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]phenyl]spiro[acridine-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene].

Molecular Properties

Compound Name10-phenyl-18'-[3-[3-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]phenyl]spiro[acridine-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene]
PubChem CID134303840
Molecular FormulaC65H45N3
Molecular Weight868.10 g/mol
Exact Mass867.36
IUPAC Name10-phenyl-18'-[3-[3-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]phenyl]spiro[acridine-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene]
SMILESc1ccc(C2NC(c3cccc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7N(c7ccccc7)c7ccccc75)c5c-6c6ccccc6c6ccccc56)c4)c3)Nc3ccccc32)cc1
InChIInChI=1S/C65H45N3/c1-3-19-42(20-4-1)63-54-31-11-14-34-58(54)66-64(67-63)47-24-18-23-45(40-47)43-21-17-22-44(39-43)46-37-38-53-57(41-46)65(62-52-30-10-8-28-50(52)49-27-7-9-29-51(49)61(53)62)55-32-12-15-35-59(55)68(48-25-5-2-6-26-48)60-36-16-13-33-56(60)65/h1-41,63-64,66-67H
InChIKeyWNLIKHVQLSIQJT-UHFFFAOYSA-N
XLogP16.28
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.10
LogP ≤ 516.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 10-phenyl-18'-[3-[3-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]phenyl]spiro[acridine-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene] with MolForge

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Related Compounds

2'-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263734
10-[4-[2-[4-(3'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,2,3,4-tetrahydroquinazolin-4-yl]phenyl]phenoxazine
CID 146321805
2'-[3-[4-(2,4-diphenyl-1,2,3,4-tetrahydropyrimidin-6-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263707
10-phenyl-2'-[3-[3-[4-(4-phenylphenyl)-1,2,3,8a-tetrahydroquinazolin-2-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
CID 129263317
15,15-dimethyl-12-[4-[4-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]phenyl]-12-azaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaene
CID 129071027
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
2'-[3-[3-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263428
2-[3-(9'-methyl-10'-phenylspiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene-21,2'-tricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaene]-18-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134305277
10-phenyl-2'-[3-[4-phenyl-2-(3-phenylphenyl)-1,4-dihydropyrimidin-6-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 129263663
2'-[4-[3-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263708
2'-[3-[2,6-bis(4-fluorophenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263672
2'-[3-[3-[3-[(2S)-3,5-diphenyl-2H-pyrrol-2-yl]phenyl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263212

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-18'-[3-[3-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]phenyl]spiro[acridine-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene]?
The IUPAC name of 10-phenyl-18'-[3-[3-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]phenyl]spiro[acridine-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene] (CID 134303840) is 10-phenyl-18'-[3-[3-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]phenyl]spiro[acridine-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene].
What is the SMILES notation for 10-phenyl-18'-[3-[3-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]phenyl]spiro[acridine-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene]?
The canonical SMILES for 10-phenyl-18'-[3-[3-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]phenyl]spiro[acridine-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene] is c1ccc(C2NC(c3cccc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7N(c7ccccc7)c7ccccc75)c5c-6c6ccccc6c6ccccc56)c4)c3)Nc3ccccc32)cc1.
What is the InChIKey of 10-phenyl-18'-[3-[3-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]phenyl]spiro[acridine-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene]?
The InChIKey is WNLIKHVQLSIQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H45N3/c1-3-19-42(20-4-1)63-54-31-11-14-34-58(54)66-64(67-63)47-24-18-23-45(40-47)43-21-17-22-44(39-43)46-37-38-53-57(41-46)65(62-52-30-10-8-28-50(52)49-27-7-9-29-51(49)61(53)62)55-32-12-15-35-59(55)68(48-25-5-2-6-26-48)60-36-16-13-33-56(60)65/h1-41,63-64,66-67H.
What are the key properties of 10-phenyl-18'-[3-[3-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]phenyl]spiro[acridine-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene]?
10-phenyl-18'-[3-[3-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]phenyl]spiro[acridine-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene] has a molecular weight of 868.10 g/mol, XLogP of 16.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-18'-[3-[3-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]phenyl]spiro[acridine-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene] is sourced from PubChem (CID 134303840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).