CID 146495217

C52H36N2 — CID 146495217

IUPAC—
SMILESC/C=C\C1=C(C)C2(c3ccccc31)c1ccccc1C1(c3ccccc3-c3ccccc31)c1cc(-c3nc(-c4ccccc4)c4ccccc4n3)ccc12
InChIInChI=1S/C52H36N2/c1-3-17-36-33(2)51(41-24-11-7-20-37(36)41)44-27-14-15-28-45(44)52(42-25-12-8-21-38(42)39-22-9-13-26-43(39)52)47-32-35(30-31-46(47)51)50-53-48-29-16-10-23-40(48)49(54-50)34-18-5-4-6-19-34/h3-32H,1-2H3/b17-3-
InChIKeySYKPQJADXNAMBH-YPEHOIGNSA-N
MW688.87 g/mol
LogP12.34
Rot. Bonds3

About CID 146495217

CID 146495217 (PubChem CID 146495217) has the molecular formula C52H36N2 and a molecular weight of 688.87 g/mol.

Molecular Properties

Compound NameCID 146495217
PubChem CID146495217
Molecular FormulaC52H36N2
Molecular Weight688.87 g/mol
Exact Mass688.29
IUPAC Name—
SMILESC/C=C\C1=C(C)C2(c3ccccc31)c1ccccc1C1(c3ccccc3-c3ccccc31)c1cc(-c3nc(-c4ccccc4)c4ccccc4n3)ccc12
InChIInChI=1S/C52H36N2/c1-3-17-36-33(2)51(41-24-11-7-20-37(36)41)44-27-14-15-28-45(44)52(42-25-12-8-21-38(42)39-22-9-13-26-43(39)52)47-32-35(30-31-46(47)51)50-53-48-29-16-10-23-40(48)49(54-50)34-18-5-4-6-19-34/h3-32H,1-2H3/b17-3-
InChIKeySYKPQJADXNAMBH-YPEHOIGNSA-N
XLogP12.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.87
LogP ≤ 512.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-2-spiro[fluorene-9,9'-thioxanthene]-2'-ylquinazoline
CID 167178363
2-phenyl-4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinazoline
CID 167177421
2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)-4-phenylquinazoline
CID 166996088
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
CID 146184411
CID 146184411
2-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)quinazoline
CID 130375099
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
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
4-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)quinazoline
CID 139306700
4-phenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2-ylphenyl)quinazoline
CID 139306466
3-bromo-2'-methyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]
CID 170136169

Frequently Asked Questions

What is the IUPAC name of CID 146495217?
The IUPAC name of CID 146495217 (CID 146495217) is not available.
What is the SMILES notation for CID 146495217?
The canonical SMILES for CID 146495217 is C/C=C\C1=C(C)C2(c3ccccc31)c1ccccc1C1(c3ccccc3-c3ccccc31)c1cc(-c3nc(-c4ccccc4)c4ccccc4n3)ccc12.
What is the InChIKey of CID 146495217?
The InChIKey is SYKPQJADXNAMBH-YPEHOIGNSA-N. The full InChI is InChI=1S/C52H36N2/c1-3-17-36-33(2)51(41-24-11-7-20-37(36)41)44-27-14-15-28-45(44)52(42-25-12-8-21-38(42)39-22-9-13-26-43(39)52)47-32-35(30-31-46(47)51)50-53-48-29-16-10-23-40(48)49(54-50)34-18-5-4-6-19-34/h3-32H,1-2H3/b17-3-.
What are the key properties of CID 146495217?
CID 146495217 has a molecular weight of 688.87 g/mol, XLogP of 12.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146495217 is sourced from PubChem (CID 146495217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).