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

C106H62N4O2 — CID 139307599

IUPAC2-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
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)-c4ccccc4C54c5ccc6ccccc6c5Oc5c4ccc4ccccc54)cc3)c3ccc(-c4ccc5c6c(ccc5c4)C4(c5ccccc5-c5cc(-c7ccc(-c8nc(-c9ccccc9)c9ccccc9n8)cc7)ccc54)c4ccc5ccccc5c4O6)cc3n2)cc1
InChIInChI=1S/C106H62N4O2/c1-3-22-68(23-4-1)97-83-31-15-18-34-95(83)107-104(109-97)71-41-37-64(38-42-71)74-49-54-90-86(61-74)82-30-14-17-33-88(82)106(90)93-57-47-67-21-9-12-28-79(67)101(93)112-102-80-51-43-72(59-76(80)50-58-94(102)106)75-44-52-84-96(62-75)108-103(70-24-5-2-6-25-70)110-98(84)69-39-35-63(36-40-69)73-48-53-89-85(60-73)81-29-13-16-32-87(81)105(89)91-55-45-65-19-7-10-26-77(65)99(91)111-100-78-27-11-8-20-66(78)46-56-92(100)105/h1-62H
InChIKeyYWCDFLQFPXXEDO-UHFFFAOYSA-N
MW1423.69 g/mol
LogP26.79
Rot. Bonds7

About 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

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 (PubChem CID 139307599) has the molecular formula C106H62N4O2 and a molecular weight of 1423.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID139307599
Molecular FormulaC106H62N4O2
Molecular Weight1423.69 g/mol
Exact Mass1422.49
IUPAC Name2-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
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)-c4ccccc4C54c5ccc6ccccc6c5Oc5c4ccc4ccccc54)cc3)c3ccc(-c4ccc5c6c(ccc5c4)C4(c5ccccc5-c5cc(-c7ccc(-c8nc(-c9ccccc9)c9ccccc9n8)cc7)ccc54)c4ccc5ccccc5c4O6)cc3n2)cc1
InChIInChI=1S/C106H62N4O2/c1-3-22-68(23-4-1)97-83-31-15-18-34-95(83)107-104(109-97)71-41-37-64(38-42-71)74-49-54-90-86(61-74)82-30-14-17-33-88(82)106(90)93-57-47-67-21-9-12-28-79(67)101(93)112-102-80-51-43-72(59-76(80)50-58-94(102)106)75-44-52-84-96(62-75)108-103(70-24-5-2-6-25-70)110-98(84)69-39-35-63(36-40-69)73-48-53-89-85(60-73)81-29-13-16-32-87(81)105(89)91-55-45-65-19-7-10-26-77(65)99(91)111-100-78-27-11-8-20-66(78)46-56-92(100)105/h1-62H
InChIKeyYWCDFLQFPXXEDO-UHFFFAOYSA-N
XLogP26.79
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001423.69
LogP ≤ 526.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
2-phenyl-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]-1'-ylphenyl)quinazoline
CID 139306367
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
CID 139306402
4-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)quinazoline
CID 139306700
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
4-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)quinazoline
CID 139306744
7-[6'-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4-(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazoline
CID 155304735
4-phenyl-2-(4-phenylphenyl)-6-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]-2'-ylpyrimidine
CID 139306382
CID 146184411
CID 146184411
4-(4-phenylphenyl)-2-[17'-[3-(2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7'-ylquinazolin-4-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-yl]quinazoline
CID 137494857
6-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]
CID 162694337
2-(4-phenanthren-2-ylphenyl)-4-[4-[2-(4-phenanthren-2-ylphenyl)quinazolin-4-yl]phenyl]quinazoline
CID 163813527

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)-c4ccccc4C54c5ccc6ccccc6c5Oc5c4ccc4ccccc54)cc3)c3ccc(-c4ccc5c6c(ccc5c4)C4(c5ccccc5-c5cc(-c7ccc(-c8nc(-c9ccccc9)c9ccccc9n8)cc7)ccc54)c4ccc5ccccc5c4O6)cc3n2)cc1.
What is the InChIKey of 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?
The InChIKey is YWCDFLQFPXXEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H62N4O2/c1-3-22-68(23-4-1)97-83-31-15-18-34-95(83)107-104(109-97)71-41-37-64(38-42-71)74-49-54-90-86(61-74)82-30-14-17-33-88(82)106(90)93-57-47-67-21-9-12-28-79(67)101(93)112-102-80-51-43-72(59-76(80)50-58-94(102)106)75-44-52-84-96(62-75)108-103(70-24-5-2-6-25-70)110-98(84)69-39-35-63(36-40-69)73-48-53-89-85(60-73)81-29-13-16-32-87(81)105(89)91-55-45-65-19-7-10-26-77(65)99(91)111-100-78-27-11-8-20-66(78)46-56-92(100)105/h1-62H.
What are the key properties of 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?
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 has a molecular weight of 1423.69 g/mol, XLogP of 26.79, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139307599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).