CID 146414271

C50H34N2 — CID 146414271

IUPAC—
SMILESNc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccc(-c4ccc(N)cc4)cc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C50H34N2/c51-35-23-17-31(18-24-35)33-22-28-46-47(29-33)49(41-13-5-1-9-37(41)38-10-2-6-14-42(38)49)45-27-21-34(32-19-25-36(52)26-20-32)30-48(45)50(46)43-15-7-3-11-39(43)40-12-4-8-16-44(40)50/h1-30H,51-52H2
InChIKeyZPYWXJOGSJUHCB-UHFFFAOYSA-N
MW662.84 g/mol
LogP11.22
Rot. Bonds2

About CID 146414271

CID 146414271 (PubChem CID 146414271) has the molecular formula C50H34N2 and a molecular weight of 662.84 g/mol.

Molecular Properties

Compound NameCID 146414271
PubChem CID146414271
Molecular FormulaC50H34N2
Molecular Weight662.84 g/mol
Exact Mass662.27
IUPAC Name—
SMILESNc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccc(-c4ccc(N)cc4)cc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C50H34N2/c51-35-23-17-31(18-24-35)33-22-28-46-47(29-33)49(41-13-5-1-9-37(41)38-10-2-6-14-42(38)49)45-27-21-34(32-19-25-36(52)26-20-32)30-48(45)50(46)43-15-7-3-11-39(43)40-12-4-8-16-44(40)50/h1-30H,51-52H2
InChIKeyZPYWXJOGSJUHCB-UHFFFAOYSA-N
XLogP11.22
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.84
LogP ≤ 511.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

CID 139521138
CID 139521138
3,3'-diphenyl-9,9'-spirobi[fluorene]
CID 58789520
methane;3-phenyl-9,9'-spirobi[fluorene]
CID 145237340
CID 158278496
CID 158278496
CID 139521142
CID 139521142
9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 142504362
CID 23590230
CID 23590230
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
2-(9,9'-spirobi[fluorene]-2-yl)-4,6-bis(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 58273816
CID 140720702
CID 140720702
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146494836
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146495829

Frequently Asked Questions

What is the IUPAC name of CID 146414271?
The IUPAC name of CID 146414271 (CID 146414271) is not available.
What is the SMILES notation for CID 146414271?
The canonical SMILES for CID 146414271 is Nc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccc(-c4ccc(N)cc4)cc2C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of CID 146414271?
The InChIKey is ZPYWXJOGSJUHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2/c51-35-23-17-31(18-24-35)33-22-28-46-47(29-33)49(41-13-5-1-9-37(41)38-10-2-6-14-42(38)49)45-27-21-34(32-19-25-36(52)26-20-32)30-48(45)50(46)43-15-7-3-11-39(43)40-12-4-8-16-44(40)50/h1-30H,51-52H2.
What are the key properties of CID 146414271?
CID 146414271 has a molecular weight of 662.84 g/mol, XLogP of 11.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146414271 is sourced from PubChem (CID 146414271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).