7-[4-[5-(4-ethylphenyl)-4-tricyclo[4.4.0.02,10]deca-1,3,5,7,9-pentaenyl]phenyl]-7-phenylbenzo[c]fluorene

C47H32 — CID 145414972

IUPAC7-[4-[5-(4-ethylphenyl)-4-tricyclo[4.4.0.02,10]deca-1,3,5,7,9-pentaenyl]phenyl]-7-phenylbenzo[c]fluorene
SMILESCCc1ccc(-c2c(-c3ccc(C4(c5ccccc5)c5ccccc5-c5c4ccc4ccccc54)cc3)cc3c4c-3cccc24)cc1
InChIInChI=1S/C47H32/c1-2-30-19-21-33(22-20-30)44-39-17-10-16-37-41(45(37)39)29-40(44)32-23-26-35(27-24-32)47(34-12-4-3-5-13-34)42-18-9-8-15-38(42)46-36-14-7-6-11-31(36)25-28-43(46)47/h3-29H,2H2,1H3
InChIKeyGDTKTZLGCCSZDT-UHFFFAOYSA-N
MW596.77 g/mol
LogP12.23
Rot. Bonds5

About 7-[4-[5-(4-ethylphenyl)-4-tricyclo[4.4.0.02,10]deca-1,3,5,7,9-pentaenyl]phenyl]-7-phenylbenzo[c]fluorene

7-[4-[5-(4-ethylphenyl)-4-tricyclo[4.4.0.02,10]deca-1,3,5,7,9-pentaenyl]phenyl]-7-phenylbenzo[c]fluorene (PubChem CID 145414972) has the molecular formula C47H32 and a molecular weight of 596.77 g/mol. Its IUPAC name is 7-[4-[5-(4-ethylphenyl)-4-tricyclo[4.4.0.02,10]deca-1,3,5,7,9-pentaenyl]phenyl]-7-phenylbenzo[c]fluorene.

Molecular Properties

Compound Name7-[4-[5-(4-ethylphenyl)-4-tricyclo[4.4.0.02,10]deca-1,3,5,7,9-pentaenyl]phenyl]-7-phenylbenzo[c]fluorene
PubChem CID145414972
Molecular FormulaC47H32
Molecular Weight596.77 g/mol
Exact Mass596.25
IUPAC Name7-[4-[5-(4-ethylphenyl)-4-tricyclo[4.4.0.02,10]deca-1,3,5,7,9-pentaenyl]phenyl]-7-phenylbenzo[c]fluorene
SMILESCCc1ccc(-c2c(-c3ccc(C4(c5ccccc5)c5ccccc5-c5c4ccc4ccccc54)cc3)cc3c4c-3cccc24)cc1
InChIInChI=1S/C47H32/c1-2-30-19-21-33(22-20-30)44-39-17-10-16-37-41(45(37)39)29-40(44)32-23-26-35(27-24-32)47(34-12-4-3-5-13-34)42-18-9-8-15-38(42)46-36-14-7-6-11-31(36)25-28-43(46)47/h3-29H,2H2,1H3
InChIKeyGDTKTZLGCCSZDT-UHFFFAOYSA-N
XLogP12.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.77
LogP ≤ 512.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

12-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 170021853
2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 134487429
2,4-diphenyl-6-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 158764717
7'-(2-phenylnaphthalen-1-yl)spiro[fluorene-9,24'-heptacyclo[14.10.1.02,11.04,9.012,27.017,25.018,23]heptacosa-1(26),2(11),3,5,7,9,12,14,16(27),17(25),18,20,22-tridecaene]
CID 123549000
9-(4-ethylphenyl)-9-phenylfluorene
CID 149284542
5-[2-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 170021243
9-(10-naphthalen-1-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene
CID 166034390
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine;9,9-dimethyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine;9,9-diphenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 159690368
7-(4-methylphenyl)-7-phenyl-9-[10-(4-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 144583282
CID 140963936
CID 140963936
7,7-dimethyl-N-phenyl-N-[2-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]benzo[c]fluoren-10-amine
CID 169293026
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 169019849

Frequently Asked Questions

What is the IUPAC name of 7-[4-[5-(4-ethylphenyl)-4-tricyclo[4.4.0.02,10]deca-1,3,5,7,9-pentaenyl]phenyl]-7-phenylbenzo[c]fluorene?
The IUPAC name of 7-[4-[5-(4-ethylphenyl)-4-tricyclo[4.4.0.02,10]deca-1,3,5,7,9-pentaenyl]phenyl]-7-phenylbenzo[c]fluorene (CID 145414972) is 7-[4-[5-(4-ethylphenyl)-4-tricyclo[4.4.0.02,10]deca-1,3,5,7,9-pentaenyl]phenyl]-7-phenylbenzo[c]fluorene.
What is the SMILES notation for 7-[4-[5-(4-ethylphenyl)-4-tricyclo[4.4.0.02,10]deca-1,3,5,7,9-pentaenyl]phenyl]-7-phenylbenzo[c]fluorene?
The canonical SMILES for 7-[4-[5-(4-ethylphenyl)-4-tricyclo[4.4.0.02,10]deca-1,3,5,7,9-pentaenyl]phenyl]-7-phenylbenzo[c]fluorene is CCc1ccc(-c2c(-c3ccc(C4(c5ccccc5)c5ccccc5-c5c4ccc4ccccc54)cc3)cc3c4c-3cccc24)cc1.
What is the InChIKey of 7-[4-[5-(4-ethylphenyl)-4-tricyclo[4.4.0.02,10]deca-1,3,5,7,9-pentaenyl]phenyl]-7-phenylbenzo[c]fluorene?
The InChIKey is GDTKTZLGCCSZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32/c1-2-30-19-21-33(22-20-30)44-39-17-10-16-37-41(45(37)39)29-40(44)32-23-26-35(27-24-32)47(34-12-4-3-5-13-34)42-18-9-8-15-38(42)46-36-14-7-6-11-31(36)25-28-43(46)47/h3-29H,2H2,1H3.
What are the key properties of 7-[4-[5-(4-ethylphenyl)-4-tricyclo[4.4.0.02,10]deca-1,3,5,7,9-pentaenyl]phenyl]-7-phenylbenzo[c]fluorene?
7-[4-[5-(4-ethylphenyl)-4-tricyclo[4.4.0.02,10]deca-1,3,5,7,9-pentaenyl]phenyl]-7-phenylbenzo[c]fluorene has a molecular weight of 596.77 g/mol, XLogP of 12.23, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[5-(4-ethylphenyl)-4-tricyclo[4.4.0.02,10]deca-1,3,5,7,9-pentaenyl]phenyl]-7-phenylbenzo[c]fluorene is sourced from PubChem (CID 145414972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).