CID 140845137

C48H28 — CID 140845137

IUPAC—
SMILESc1ccc2c(c1)C1=C(c3ccccc3C13c1ccccc1-c1cc4ccccc4cc13)C21c2ccccc2-c2cc3ccccc3cc21
InChIInChI=1S/C48H28/c1-3-15-31-27-43-37(25-29(31)13-1)33-17-5-9-21-39(33)47(43)41-23-11-7-19-35(41)46-45(47)36-20-8-12-24-42(36)48(46)40-22-10-6-18-34(40)38-26-30-14-2-4-16-32(30)28-44(38)48/h1-28H
InChIKeyWVFKLIKPPLKDHU-UHFFFAOYSA-N
MW604.75 g/mol
LogP11.56
Rot. Bonds

About CID 140845137

CID 140845137 (PubChem CID 140845137) has the molecular formula C48H28 and a molecular weight of 604.75 g/mol.

Molecular Properties

Compound NameCID 140845137
PubChem CID140845137
Molecular FormulaC48H28
Molecular Weight604.75 g/mol
Exact Mass604.22
IUPAC Name—
SMILESc1ccc2c(c1)C1=C(c3ccccc3C13c1ccccc1-c1cc4ccccc4cc13)C21c2ccccc2-c2cc3ccccc3cc21
InChIInChI=1S/C48H28/c1-3-15-31-27-43-37(25-29(31)13-1)33-17-5-9-21-39(33)47(43)41-23-11-7-19-35(41)46-45(47)36-20-8-12-24-42(36)48(46)40-22-10-6-18-34(40)38-26-30-14-2-4-16-32(30)28-44(38)48/h1-28H
InChIKeyWVFKLIKPPLKDHU-UHFFFAOYSA-N
XLogP11.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.75
LogP ≤ 511.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

spiro[benzo[b]fluorene-11,9'-fluorene]
CID 140775185
CID 134272873
CID 134272873
1'-ethylspiro[benzo[b]fluorene-11,9'-fluorene]
CID 157350027
benzo[b]fluorene-11,11-diamine
CID 126521944
N,N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193979
N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine
CID 134215993
7'-(10-naphthalen-2-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]
CID 140962634
11-(6,7-dimethylnaphthalen-2-yl)-11-[4-[4-[9-(6,7-dimethylnaphthalen-2-yl)fluoren-9-yl]phenyl]phenyl]benzo[b]fluorene
CID 164808737
10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane
CID 91112944
spiro[benzo[b]fluorene-11,1'-cyclopentane]
CID 59806759
N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193981
ethane;naphthalene;9,9'-spirobi[fluorene]
CID 162036420

Frequently Asked Questions

What is the IUPAC name of CID 140845137?
The IUPAC name of CID 140845137 (CID 140845137) is not available.
What is the SMILES notation for CID 140845137?
The canonical SMILES for CID 140845137 is c1ccc2c(c1)C1=C(c3ccccc3C13c1ccccc1-c1cc4ccccc4cc13)C21c2ccccc2-c2cc3ccccc3cc21.
What is the InChIKey of CID 140845137?
The InChIKey is WVFKLIKPPLKDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28/c1-3-15-31-27-43-37(25-29(31)13-1)33-17-5-9-21-39(33)47(43)41-23-11-7-19-35(41)46-45(47)36-20-8-12-24-42(36)48(46)40-22-10-6-18-34(40)38-26-30-14-2-4-16-32(30)28-44(38)48/h1-28H.
What are the key properties of CID 140845137?
CID 140845137 has a molecular weight of 604.75 g/mol, XLogP of 11.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140845137 is sourced from PubChem (CID 140845137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).