7,12-diphenyl-9-(8-phenylfluoranthen-3-yl)benzo[k]fluoranthene

C54H32 — CID 59326163

IUPAC7,12-diphenyl-9-(8-phenylfluoranthen-3-yl)benzo[k]fluoranthene
SMILESc1ccc(-c2ccc3c(c2)-c2cccc4c(-c5ccc6c(-c7ccccc7)c7c(c(-c8ccccc8)c6c5)-c5cccc6cccc-7c56)ccc-3c24)cc1
InChIInChI=1S/C54H32/c1-4-13-33(14-5-1)37-25-27-40-43-30-29-39(41-21-12-22-42(52(41)43)47(40)31-37)38-26-28-44-48(32-38)51(36-17-8-3-9-18-36)54-46-24-11-20-34-19-10-23-45(49(34)46)53(54)50(44)35-15-6-2-7-16-35/h1-32H
InChIKeyNARUNMFIQSUPPQ-UHFFFAOYSA-N
MW680.85 g/mol
LogP15.11
Rot. Bonds4

About 7,12-diphenyl-9-(8-phenylfluoranthen-3-yl)benzo[k]fluoranthene

7,12-diphenyl-9-(8-phenylfluoranthen-3-yl)benzo[k]fluoranthene (PubChem CID 59326163) has the molecular formula C54H32 and a molecular weight of 680.85 g/mol. Its IUPAC name is 7,12-diphenyl-9-(8-phenylfluoranthen-3-yl)benzo[k]fluoranthene.

Molecular Properties

Compound Name7,12-diphenyl-9-(8-phenylfluoranthen-3-yl)benzo[k]fluoranthene
PubChem CID59326163
Molecular FormulaC54H32
Molecular Weight680.85 g/mol
Exact Mass680.25
IUPAC Name7,12-diphenyl-9-(8-phenylfluoranthen-3-yl)benzo[k]fluoranthene
SMILESc1ccc(-c2ccc3c(c2)-c2cccc4c(-c5ccc6c(-c7ccccc7)c7c(c(-c8ccccc8)c6c5)-c5cccc6cccc-7c56)ccc-3c24)cc1
InChIInChI=1S/C54H32/c1-4-13-33(14-5-1)37-25-27-40-43-30-29-39(41-21-12-22-42(52(41)43)47(40)31-37)38-26-28-44-48(32-38)51(36-17-8-3-9-18-36)54-46-24-11-20-34-19-10-23-45(49(34)46)53(54)50(44)35-15-6-2-7-16-35/h1-32H
InChIKeyNARUNMFIQSUPPQ-UHFFFAOYSA-N
XLogP15.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.85
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-fluoranthen-8-yl-7,9,12-triphenylbenzo[k]fluoranthene
CID 58390175
9-fluoranthen-2-yl-3,7,12-triphenylbenzo[k]fluoranthene
CID 59326181
9-tert-butyl-3-fluoranthen-8-yl-7,12-diphenylbenzo[k]fluoranthene
CID 58390207
9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58535154
18-perylen-3-yl-3,10-diphenylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(25),2,4,6,8,10,12,14,16(21),17,19,22(26),23-tridecaene
CID 145350875
19-fluoranthen-8-yl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene
CID 58454238
5-(7,12-diphenylbenzo[k]fluoranthen-9-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 58435252
5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58535151
7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane
CID 143739700
3-(1-methylfluoranthen-8-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 58390229
3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene
CID 140717774
5-(9,10-diphenylanthracen-2-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 58535149

Frequently Asked Questions

What is the IUPAC name of 7,12-diphenyl-9-(8-phenylfluoranthen-3-yl)benzo[k]fluoranthene?
The IUPAC name of 7,12-diphenyl-9-(8-phenylfluoranthen-3-yl)benzo[k]fluoranthene (CID 59326163) is 7,12-diphenyl-9-(8-phenylfluoranthen-3-yl)benzo[k]fluoranthene.
What is the SMILES notation for 7,12-diphenyl-9-(8-phenylfluoranthen-3-yl)benzo[k]fluoranthene?
The canonical SMILES for 7,12-diphenyl-9-(8-phenylfluoranthen-3-yl)benzo[k]fluoranthene is c1ccc(-c2ccc3c(c2)-c2cccc4c(-c5ccc6c(-c7ccccc7)c7c(c(-c8ccccc8)c6c5)-c5cccc6cccc-7c56)ccc-3c24)cc1.
What is the InChIKey of 7,12-diphenyl-9-(8-phenylfluoranthen-3-yl)benzo[k]fluoranthene?
The InChIKey is NARUNMFIQSUPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32/c1-4-13-33(14-5-1)37-25-27-40-43-30-29-39(41-21-12-22-42(52(41)43)47(40)31-37)38-26-28-44-48(32-38)51(36-17-8-3-9-18-36)54-46-24-11-20-34-19-10-23-45(49(34)46)53(54)50(44)35-15-6-2-7-16-35/h1-32H.
What are the key properties of 7,12-diphenyl-9-(8-phenylfluoranthen-3-yl)benzo[k]fluoranthene?
7,12-diphenyl-9-(8-phenylfluoranthen-3-yl)benzo[k]fluoranthene has a molecular weight of 680.85 g/mol, XLogP of 15.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,12-diphenyl-9-(8-phenylfluoranthen-3-yl)benzo[k]fluoranthene is sourced from PubChem (CID 59326163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).