2-phenyl-3'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]

C59H37N3 — CID 134304061

IUPAC2-phenyl-3'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)-c4ccccc4C54c5ccc6ccccc6c5N(c5ccccc5)c5c4ccc4ccccc54)cc3)nc3ccccc23)cc1
InChIInChI=1S/C59H37N3/c1-3-17-41(18-4-1)55-48-24-12-14-26-54(48)60-58(61-55)42-29-27-38(28-30-42)43-33-34-51-49(37-43)47-23-11-13-25-50(47)59(51)52-35-31-39-15-7-9-21-45(39)56(52)62(44-19-5-2-6-20-44)57-46-22-10-8-16-40(46)32-36-53(57)59/h1-37H
InChIKeyFNWQYNKLXODUIH-UHFFFAOYSA-N
MW787.97 g/mol
LogP15.08
Rot. Bonds4

About 2-phenyl-3'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]

2-phenyl-3'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene] (PubChem CID 134304061) has the molecular formula C59H37N3 and a molecular weight of 787.97 g/mol. Its IUPAC name is 2-phenyl-3'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene].

Molecular Properties

Compound Name2-phenyl-3'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]
PubChem CID134304061
Molecular FormulaC59H37N3
Molecular Weight787.97 g/mol
Exact Mass787.30
IUPAC Name2-phenyl-3'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)-c4ccccc4C54c5ccc6ccccc6c5N(c5ccccc5)c5c4ccc4ccccc54)cc3)nc3ccccc23)cc1
InChIInChI=1S/C59H37N3/c1-3-17-41(18-4-1)55-48-24-12-14-26-54(48)60-58(61-55)42-29-27-38(28-30-42)43-33-34-51-49(37-43)47-23-11-13-25-50(47)59(51)52-35-31-39-15-7-9-21-45(39)56(52)62(44-19-5-2-6-20-44)57-46-22-10-8-16-40(46)32-36-53(57)59/h1-37H
InChIKeyFNWQYNKLXODUIH-UHFFFAOYSA-N
XLogP15.08
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.97
LogP ≤ 515.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-phenyl-3'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene] with MolForge

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Related Compounds

2-phenyl-2'-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]
CID 134304893
4-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)quinazoline
CID 139306700
2-phenyl-7-[3'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17,19,21-decaene-13,9'-fluorene]-7-yl]-4-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenyl)quinazoline
CID 139307599
4,6-diphenyl-2-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenyl)pyrimidine;2,4-diphenyl-6-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2-(4-phenylphenyl)-4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylquinazoline;4-(4-phenylphenyl)-2-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylquinazoline
CID 159241281
CID 146184411
CID 146184411
2-[4-(7,7-diphenylbenzo[c]fluoren-2-yl)phenyl]-4-phenylquinazoline
CID 155465448
2-phenyl-4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinazoline
CID 167177421
4-(4-phenylphenyl)-2-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-ylquinazoline
CID 153357768
10-phenyl-2'-[2-(2-phenylquinazolin-4-yl)phenyl]spiro[acridine-9,9'-fluorene]
CID 129263859
4-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)quinazoline
CID 139306744
4-phenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)quinazoline
CID 142469839
2-(4-phenylphenyl)-4-(4-spiro[fluorene-9,9'-thioxanthene]-2-ylphenyl)quinazoline;4-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-thioxanthene]-2-ylphenyl)quinazoline;4-phenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2-ylphenyl)quinazoline
CID 158243649

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]?
The IUPAC name of 2-phenyl-3'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene] (CID 134304061) is 2-phenyl-3'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene].
What is the SMILES notation for 2-phenyl-3'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]?
The canonical SMILES for 2-phenyl-3'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene] is c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)-c4ccccc4C54c5ccc6ccccc6c5N(c5ccccc5)c5c4ccc4ccccc54)cc3)nc3ccccc23)cc1.
What is the InChIKey of 2-phenyl-3'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]?
The InChIKey is FNWQYNKLXODUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N3/c1-3-17-41(18-4-1)55-48-24-12-14-26-54(48)60-58(61-55)42-29-27-38(28-30-42)43-33-34-51-49(37-43)47-23-11-13-25-50(47)59(51)52-35-31-39-15-7-9-21-45(39)56(52)62(44-19-5-2-6-20-44)57-46-22-10-8-16-40(46)32-36-53(57)59/h1-37H.
What are the key properties of 2-phenyl-3'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]?
2-phenyl-3'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene] has a molecular weight of 787.97 g/mol, XLogP of 15.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene] is sourced from PubChem (CID 134304061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).