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

C100H60N4O2 — CID 155304735

IUPAC7-[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
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccc6c(c5)Oc5ccccc5C65c6ccccc6-c6ccccc65)c4)nc4cc(-c5ccc6c(c5)Oc5cc(-c7cccc(-c8nc(-c9cccc%10ccccc9%10)c9ccccc9n8)c7)ccc5C65c6ccccc6-c6ccccc65)ccc34)cc2)cc1
InChIInChI=1S/C100H60N4O2/c1-2-21-61(22-3-1)62-43-45-64(46-44-62)95-80-51-47-67(57-90(80)102-98(103-95)72-28-19-26-66(56-72)68-48-52-86-92(58-68)105-91-42-17-15-40-85(91)99(86)81-36-11-6-30-74(81)75-31-7-12-37-82(75)99)70-50-54-88-94(60-70)106-93-59-69(49-53-87(93)100(88)83-38-13-8-32-76(83)77-33-9-14-39-84(77)100)65-25-18-27-71(55-65)97-101-89-41-16-10-34-79(89)96(104-97)78-35-20-24-63-23-4-5-29-73(63)78/h1-60H
InChIKeyFVVFXFVWGZMVQW-UHFFFAOYSA-N
MW1349.61 g/mol
LogP25.00
Rot. Bonds8

About 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

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 (PubChem CID 155304735) has the molecular formula C100H60N4O2 and a molecular weight of 1349.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID155304735
Molecular FormulaC100H60N4O2
Molecular Weight1349.61 g/mol
Exact Mass1348.47
IUPAC Name7-[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
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccc6c(c5)Oc5ccccc5C65c6ccccc6-c6ccccc65)c4)nc4cc(-c5ccc6c(c5)Oc5cc(-c7cccc(-c8nc(-c9cccc%10ccccc9%10)c9ccccc9n8)c7)ccc5C65c6ccccc6-c6ccccc65)ccc34)cc2)cc1
InChIInChI=1S/C100H60N4O2/c1-2-21-61(22-3-1)62-43-45-64(46-44-62)95-80-51-47-67(57-90(80)102-98(103-95)72-28-19-26-66(56-72)68-48-52-86-92(58-68)105-91-42-17-15-40-85(91)99(86)81-36-11-6-30-74(81)75-31-7-12-37-82(75)99)70-50-54-88-94(60-70)106-93-59-69(49-53-87(93)100(88)83-38-13-8-32-76(83)77-33-9-14-39-84(77)100)65-25-18-27-71(55-65)97-101-89-41-16-10-34-79(89)96(104-97)78-35-20-24-63-23-4-5-29-73(63)78/h1-60H
InChIKeyFVVFXFVWGZMVQW-UHFFFAOYSA-N
XLogP25.00
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001349.61
LogP ≤ 525.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 146184411
CID 146184411
4-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)quinazoline
CID 139306700
4-phenyl-2-[3-[6'-[3-[phenyl-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phosphoryl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]quinazoline
CID 146343003
4-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)quinazoline
CID 139306744
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
2-phenanthren-2-yl-4-phenyl-6-[3-[6'-[3-[3-[4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine
CID 146343035
6-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]
CID 162694337
3-naphthalen-1-yl-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyridazine;4-naphthalen-1-yl-2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)quinazoline;4-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)quinazoline
CID 161034640
2-phenanthren-2-yl-4-phenyl-6-[4-[3-[3-[4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine
CID 155476648
3-naphthalen-1-yl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyridazine;4-naphthalen-1-yl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazoline;4-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazoline;2-phenyl-5-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,4-oxadiazole;3-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyridazine;2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile
CID 158157840
4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline
CID 139306839
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccc6c(c5)Oc5ccccc5C65c6ccccc6-c6ccccc65)c4)nc4cc(-c5ccc6c(c5)Oc5cc(-c7cccc(-c8nc(-c9cccc%10ccccc9%10)c9ccccc9n8)c7)ccc5C65c6ccccc6-c6ccccc65)ccc34)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is FVVFXFVWGZMVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H60N4O2/c1-2-21-61(22-3-1)62-43-45-64(46-44-62)95-80-51-47-67(57-90(80)102-98(103-95)72-28-19-26-66(56-72)68-48-52-86-92(58-68)105-91-42-17-15-40-85(91)99(86)81-36-11-6-30-74(81)75-31-7-12-37-82(75)99)70-50-54-88-94(60-70)106-93-59-69(49-53-87(93)100(88)83-38-13-8-32-76(83)77-33-9-14-39-84(77)100)65-25-18-27-71(55-65)97-101-89-41-16-10-34-79(89)96(104-97)78-35-20-24-63-23-4-5-29-73(63)78/h1-60H.
What are the key properties of 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?
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 has a molecular weight of 1349.61 g/mol, XLogP of 25.00, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155304735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).