CID 140863591

C48H30 — CID 140863591

IUPAC—
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2C2(c3ccccc3-c3ccccc32)c2c(-c3cccc4ccccc34)cccc21
InChIInChI=1S/C48H30/c1-2-17-32-31(15-1)16-13-22-33(32)38-23-14-30-45-46(38)48(41-26-9-5-20-36(41)37-21-6-10-27-42(37)48)44-29-12-11-28-43(44)47(45)39-24-7-3-18-34(39)35-19-4-8-25-40(35)47/h1-30H
InChIKeyKFNBDIXWVQQXDG-UHFFFAOYSA-N
MW606.77 g/mol
LogP11.55
Rot. Bonds1

About CID 140863591

CID 140863591 (PubChem CID 140863591) has the molecular formula C48H30 and a molecular weight of 606.77 g/mol.

Molecular Properties

Compound NameCID 140863591
PubChem CID140863591
Molecular FormulaC48H30
Molecular Weight606.77 g/mol
Exact Mass606.23
IUPAC Name—
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2C2(c3ccccc3-c3ccccc32)c2c(-c3cccc4ccccc34)cccc21
InChIInChI=1S/C48H30/c1-2-17-32-31(15-1)16-13-22-33(32)38-23-14-30-45-46(38)48(41-26-9-5-20-36(41)37-21-6-10-27-42(37)48)44-29-12-11-28-43(44)47(45)39-24-7-3-18-34(39)35-19-4-8-25-40(35)47/h1-30H
InChIKeyKFNBDIXWVQQXDG-UHFFFAOYSA-N
XLogP11.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.77
LogP ≤ 511.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 140863592
CID 140863592
9,9-dinaphthalen-1-ylfluorene
CID 140680296
9,9-dimethyl-1-naphthalen-1-ylfluorene
CID 144938636
2-naphthalen-1-yl-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 167359801
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
ethane;naphthalene;9,9'-spirobi[fluorene]
CID 162036420
2,4-dinaphthalen-1-yl-6-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]-1,3,5-triazine
CID 167359765
2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 154591149

Frequently Asked Questions

What is the IUPAC name of CID 140863591?
The IUPAC name of CID 140863591 (CID 140863591) is not available.
What is the SMILES notation for CID 140863591?
The canonical SMILES for CID 140863591 is c1ccc2c(c1)-c1ccccc1C21c2ccccc2C2(c3ccccc3-c3ccccc32)c2c(-c3cccc4ccccc34)cccc21.
What is the InChIKey of CID 140863591?
The InChIKey is KFNBDIXWVQQXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30/c1-2-17-32-31(15-1)16-13-22-33(32)38-23-14-30-45-46(38)48(41-26-9-5-20-36(41)37-21-6-10-27-42(37)48)44-29-12-11-28-43(44)47(45)39-24-7-3-18-34(39)35-19-4-8-25-40(35)47/h1-30H.
What are the key properties of CID 140863591?
CID 140863591 has a molecular weight of 606.77 g/mol, XLogP of 11.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140863591 is sourced from PubChem (CID 140863591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).