5,9-dinaphthalen-2-yl-7,7-diphenylbenzo[c]fluorene;ethene;propane

C54H44 — CID 144772565

IUPAC5,9-dinaphthalen-2-yl-7,7-diphenylbenzo[c]fluorene;ethene;propane
SMILESC=C.CCC.c1ccc(C2(c3ccccc3)c3cc(-c4ccc5ccccc5c4)ccc3-c3c2cc(-c2ccc4ccccc4c2)c2ccccc32)cc1
InChIInChI=1S/C49H32.C3H8.C2H4/c1-3-17-40(18-4-1)49(41-19-5-2-6-20-41)46-31-38(37-25-23-33-13-7-9-15-35(33)29-37)27-28-44(46)48-43-22-12-11-21-42(43)45(32-47(48)49)39-26-24-34-14-8-10-16-36(34)30-39;1-3-2;1-2/h1-32H;3H2,1-2H3;1-2H2
InChIKeyHOTHUJXGNKNTMS-UHFFFAOYSA-N
MW692.95 g/mol
LogP15.06
Rot. Bonds4

About 5,9-dinaphthalen-2-yl-7,7-diphenylbenzo[c]fluorene;ethene;propane

5,9-dinaphthalen-2-yl-7,7-diphenylbenzo[c]fluorene;ethene;propane (PubChem CID 144772565) has the molecular formula C54H44 and a molecular weight of 692.95 g/mol. Its IUPAC name is 5,9-dinaphthalen-2-yl-7,7-diphenylbenzo[c]fluorene;ethene;propane.

Molecular Properties

Compound Name5,9-dinaphthalen-2-yl-7,7-diphenylbenzo[c]fluorene;ethene;propane
PubChem CID144772565
Molecular FormulaC54H44
Molecular Weight692.95 g/mol
Exact Mass692.34
IUPAC Name5,9-dinaphthalen-2-yl-7,7-diphenylbenzo[c]fluorene;ethene;propane
SMILESC=C.CCC.c1ccc(C2(c3ccccc3)c3cc(-c4ccc5ccccc5c4)ccc3-c3c2cc(-c2ccc4ccccc4c2)c2ccccc32)cc1
InChIInChI=1S/C49H32.C3H8.C2H4/c1-3-17-40(18-4-1)49(41-19-5-2-6-20-41)46-31-38(37-25-23-33-13-7-9-15-35(33)29-37)27-28-44(46)48-43-22-12-11-21-42(43)45(32-47(48)49)39-26-24-34-14-8-10-16-36(34)30-39;1-3-2;1-2/h1-32H;3H2,1-2H3;1-2H2
InChIKeyHOTHUJXGNKNTMS-UHFFFAOYSA-N
XLogP15.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.95
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-naphthalen-2-yl-9-phenanthren-9-yl-7,7-diphenylbenzo[c]fluorene
CID 59755304
9-methyl-5-(4-naphthalen-2-ylphenyl)-7,7-diphenylbenzo[c]fluorene
CID 59755354
5-(4-naphthalen-2-ylnaphthalen-1-yl)-7,7-diphenylbenzo[c]fluorene
CID 166034342
9,9-dimethyl-5',9'-dinaphthalen-2-ylspiro[anthracene-10,7'-benzo[c]fluorene]
CID 171742596
5',9'-dinaphthalen-2-yl-5,5-diphenylspiro[benzo[b][1]benzosiline-10,7'-benzo[c]fluorene]
CID 123871966
4,4,5,5-tetramethyl-2-[3-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-1,3-oxazole
CID 135249758
7,7-diphenyl-5,9-bis[3-(3-phenylphenyl)phenyl]benzo[c]fluorene
CID 59755365
6,16-dinaphthalen-2-yl-9,9-diphenylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;hexane
CID 144772560
9-phenanthren-9-yl-5,7,7-triphenylbenzo[c]fluorene
CID 59755306
4,4-dimethyl-2-[4-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-5H-1,3-thiazole
CID 135249763
7,7-diphenyl-5,9-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]benzo[c]fluorene
CID 59755297
5-(10-naphthalen-2-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene
CID 166034549

Frequently Asked Questions

What is the IUPAC name of 5,9-dinaphthalen-2-yl-7,7-diphenylbenzo[c]fluorene;ethene;propane?
The IUPAC name of 5,9-dinaphthalen-2-yl-7,7-diphenylbenzo[c]fluorene;ethene;propane (CID 144772565) is 5,9-dinaphthalen-2-yl-7,7-diphenylbenzo[c]fluorene;ethene;propane.
What is the SMILES notation for 5,9-dinaphthalen-2-yl-7,7-diphenylbenzo[c]fluorene;ethene;propane?
The canonical SMILES for 5,9-dinaphthalen-2-yl-7,7-diphenylbenzo[c]fluorene;ethene;propane is C=C.CCC.c1ccc(C2(c3ccccc3)c3cc(-c4ccc5ccccc5c4)ccc3-c3c2cc(-c2ccc4ccccc4c2)c2ccccc32)cc1.
What is the InChIKey of 5,9-dinaphthalen-2-yl-7,7-diphenylbenzo[c]fluorene;ethene;propane?
The InChIKey is HOTHUJXGNKNTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32.C3H8.C2H4/c1-3-17-40(18-4-1)49(41-19-5-2-6-20-41)46-31-38(37-25-23-33-13-7-9-15-35(33)29-37)27-28-44(46)48-43-22-12-11-21-42(43)45(32-47(48)49)39-26-24-34-14-8-10-16-36(34)30-39;1-3-2;1-2/h1-32H;3H2,1-2H3;1-2H2.
What are the key properties of 5,9-dinaphthalen-2-yl-7,7-diphenylbenzo[c]fluorene;ethene;propane?
5,9-dinaphthalen-2-yl-7,7-diphenylbenzo[c]fluorene;ethene;propane has a molecular weight of 692.95 g/mol, XLogP of 15.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dinaphthalen-2-yl-7,7-diphenylbenzo[c]fluorene;ethene;propane is sourced from PubChem (CID 144772565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).