CID 140720702

C59H40 — CID 140720702

IUPAC—
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4C54c5ccccc5-c5ccccc54)c3)cc21
InChIInChI=1S/C59H40/c1-57(2)47-23-8-3-18-41(47)46-32-30-39(35-55(46)57)37-16-15-17-38(34-37)40-31-33-54-56(36-40)59(50-26-11-6-21-44(50)45-22-7-12-27-51(45)59)53-29-14-13-28-52(53)58(54)48-24-9-4-19-42(48)43-20-5-10-25-49(43)58/h3-36H,1-2H3
InChIKeyXTVADBFUUCHXKZ-UHFFFAOYSA-N
MW748.97 g/mol
LogP14.37
Rot. Bonds2

About CID 140720702

CID 140720702 (PubChem CID 140720702) has the molecular formula C59H40 and a molecular weight of 748.97 g/mol.

Molecular Properties

Compound NameCID 140720702
PubChem CID140720702
Molecular FormulaC59H40
Molecular Weight748.97 g/mol
Exact Mass748.31
IUPAC Name—
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4C54c5ccccc5-c5ccccc54)c3)cc21
InChIInChI=1S/C59H40/c1-57(2)47-23-8-3-18-41(47)46-32-30-39(35-55(46)57)37-16-15-17-38(34-37)40-31-33-54-56(36-40)59(50-26-11-6-21-44(50)45-22-7-12-27-51(45)59)53-29-14-13-28-52(53)58(54)48-24-9-4-19-42(48)43-20-5-10-25-49(43)58/h3-36H,1-2H3
InChIKeyXTVADBFUUCHXKZ-UHFFFAOYSA-N
XLogP14.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.97
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
CID 167176882
CID 167176882
2-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]phenyl]fluoren-9-yl]phenyl]-5-phenylphenyl]-9,9-dimethylfluorene
CID 140873520
N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 146247503
4'-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 140873469
2-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]-9,9'-spirobi[fluorene]
CID 140724755
4-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N,N-diphenylaniline
CID 146247412
4-[6'-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-2,6-diphenylpyridine
CID 142480534
2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine
CID 153302646
N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 142481404
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801

Frequently Asked Questions

What is the IUPAC name of CID 140720702?
The IUPAC name of CID 140720702 (CID 140720702) is not available.
What is the SMILES notation for CID 140720702?
The canonical SMILES for CID 140720702 is CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4C54c5ccccc5-c5ccccc54)c3)cc21.
What is the InChIKey of CID 140720702?
The InChIKey is XTVADBFUUCHXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40/c1-57(2)47-23-8-3-18-41(47)46-32-30-39(35-55(46)57)37-16-15-17-38(34-37)40-31-33-54-56(36-40)59(50-26-11-6-21-44(50)45-22-7-12-27-51(45)59)53-29-14-13-28-52(53)58(54)48-24-9-4-19-42(48)43-20-5-10-25-49(43)58/h3-36H,1-2H3.
What are the key properties of CID 140720702?
CID 140720702 has a molecular weight of 748.97 g/mol, XLogP of 14.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140720702 is sourced from PubChem (CID 140720702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).