CID 146495452

C50H31NO — CID 146495452

IUPAC—
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C50H31NO/c1-5-19-37-33(15-1)34-16-2-6-20-38(34)49(37)41-23-9-10-24-42(41)50(39-21-7-3-17-35(39)36-18-4-8-22-40(36)50)44-31-32(29-30-43(44)49)51-45-25-11-13-27-47(45)52-48-28-14-12-26-46(48)51/h1-31H
InChIKeyVRNFQCJGACOZOF-UHFFFAOYSA-N
MW661.80 g/mol
LogP12.30
Rot. Bonds1

About CID 146495452

CID 146495452 (PubChem CID 146495452) has the molecular formula C50H31NO and a molecular weight of 661.80 g/mol.

Molecular Properties

Compound NameCID 146495452
PubChem CID146495452
Molecular FormulaC50H31NO
Molecular Weight661.80 g/mol
Exact Mass661.24
IUPAC Name—
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C50H31NO/c1-5-19-37-33(15-1)34-16-2-6-20-38(34)49(37)41-23-9-10-24-42(41)50(39-21-7-3-17-35(39)36-18-4-8-22-40(36)50)44-31-32(29-30-43(44)49)51-45-25-11-13-27-47(45)52-48-28-14-12-26-46(48)51/h1-31H
InChIKeyVRNFQCJGACOZOF-UHFFFAOYSA-N
XLogP12.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.80
LogP ≤ 512.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-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'-ylphenoxazine
CID 135229425
14-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 130262419
10-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)phenoxazine
CID 118698598
10-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-3'-yl)phenoxazine
CID 123828238
10-(10,10-diphenylbenzo[b][1,4]benzoxastannin-3-yl)spiro[acridine-9,9'-fluorene]
CID 144851745
5-phenyl-10-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-ylphenyl)phenazine
CID 129308793
10-[4-bromo-3-(2-bromo-5-phenoxazin-10-ylphenyl)phenyl]phenoxazine
CID 177414701
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;9,9-dimethyl-10-(9,9'-spirobi[fluorene]-2-yl)acridine;9,9-dimethyl-10-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]acridine;10-(9,9'-spirobi[fluorene]-2-yl)phenoxazine
CID 159284639
CID 144851814
CID 144851814
10-[10-(2,6-diphenylphenyl)-3-spiro[acridine-9,9'-fluorene]-10-ylbenzo[b][1,4]benzoxaborinin-7-yl]spiro[acridine-9,9'-fluorene]
CID 140728571
14-[7-(9,9-dimethylacridin-10-yl)phenanthren-2-yl]-10,10-diphenyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 146213167
10-[1'-[(Z)-4,4-dimethylpent-1-enyl]-2'-ethenylspiro[fluorene-9,3'-indene]-5'-yl]phenoxazine
CID 138493657

Frequently Asked Questions

What is the IUPAC name of CID 146495452?
The IUPAC name of CID 146495452 (CID 146495452) is not available.
What is the SMILES notation for CID 146495452?
The canonical SMILES for CID 146495452 is c1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of CID 146495452?
The InChIKey is VRNFQCJGACOZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NO/c1-5-19-37-33(15-1)34-16-2-6-20-38(34)49(37)41-23-9-10-24-42(41)50(39-21-7-3-17-35(39)36-18-4-8-22-40(36)50)44-31-32(29-30-43(44)49)51-45-25-11-13-27-47(45)52-48-28-14-12-26-46(48)51/h1-31H.
What are the key properties of CID 146495452?
CID 146495452 has a molecular weight of 661.80 g/mol, XLogP of 12.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146495452 is sourced from PubChem (CID 146495452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).