8-(7,10-diphenylfluoranthen-3-yl)-3,15-bis(4-methoxyphenyl)-22-[4-(4-methoxyphenyl)naphthalen-1-yl]heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene

C85H54O3 — CID 163714484

IUPAC8-(7,10-diphenylfluoranthen-3-yl)-3,15-bis(4-methoxyphenyl)-22-[4-(4-methoxyphenyl)naphthalen-1-yl]heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene
SMILESCOc1ccc(-c2ccc(-c3ccc4c5c(-c6ccc(OC)cc6)c6c7ccc(-c8ccc9c%10c(cccc8%10)-c8c(-c%10ccccc%10)ccc(-c%10ccccc%10)c8-9)c8cccc(c6c(-c6ccc(OC)cc6)c5c5cccc3c54)c87)c3ccccc23)cc1
InChIInChI=1S/C85H54O3/c1-86-54-33-27-51(28-34-54)57-39-42-62(61-20-11-10-19-60(57)61)63-44-47-73-78-66(63)22-13-25-70(78)82-75(52-29-35-55(87-2)36-30-52)83-71-26-14-23-68-65(45-48-74(79(68)71)85(83)76(84(73)82)53-31-37-56(88-3)38-32-53)64-43-46-72-77-67(64)21-12-24-69(77)80-58(49-15-6-4-7-16-49)40-41-59(81(72)80)50-17-8-5-9-18-50/h4-48H,1-3H3
InChIKeyKMDJQKOBQRQJLN-UHFFFAOYSA-N
MW1123.36 g/mol
LogP23.13
Rot. Bonds10

About 8-(7,10-diphenylfluoranthen-3-yl)-3,15-bis(4-methoxyphenyl)-22-[4-(4-methoxyphenyl)naphthalen-1-yl]heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene

8-(7,10-diphenylfluoranthen-3-yl)-3,15-bis(4-methoxyphenyl)-22-[4-(4-methoxyphenyl)naphthalen-1-yl]heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene (PubChem CID 163714484) has the molecular formula C85H54O3 and a molecular weight of 1123.36 g/mol. Its IUPAC name is 8-(7,10-diphenylfluoranthen-3-yl)-3,15-bis(4-methoxyphenyl)-22-[4-(4-methoxyphenyl)naphthalen-1-yl]heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene.

Molecular Properties

Compound Name8-(7,10-diphenylfluoranthen-3-yl)-3,15-bis(4-methoxyphenyl)-22-[4-(4-methoxyphenyl)naphthalen-1-yl]heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene
PubChem CID163714484
Molecular FormulaC85H54O3
Molecular Weight1123.36 g/mol
Exact Mass1122.41
IUPAC Name8-(7,10-diphenylfluoranthen-3-yl)-3,15-bis(4-methoxyphenyl)-22-[4-(4-methoxyphenyl)naphthalen-1-yl]heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene
SMILESCOc1ccc(-c2ccc(-c3ccc4c5c(-c6ccc(OC)cc6)c6c7ccc(-c8ccc9c%10c(cccc8%10)-c8c(-c%10ccccc%10)ccc(-c%10ccccc%10)c8-9)c8cccc(c6c(-c6ccc(OC)cc6)c5c5cccc3c54)c87)c3ccccc23)cc1
InChIInChI=1S/C85H54O3/c1-86-54-33-27-51(28-34-54)57-39-42-62(61-20-11-10-19-60(57)61)63-44-47-73-78-66(63)22-13-25-70(78)82-75(52-29-35-55(87-2)36-30-52)83-71-26-14-23-68-65(45-48-74(79(68)71)85(83)76(84(73)82)53-31-37-56(88-3)38-32-53)64-43-46-72-77-67(64)21-12-24-69(77)80-58(49-15-6-4-7-16-49)40-41-59(81(72)80)50-17-8-5-9-18-50/h4-48H,1-3H3
InChIKeyKMDJQKOBQRQJLN-UHFFFAOYSA-N
XLogP23.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001123.36
LogP ≤ 523.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-(7,10-diphenylfluoranthen-3-yl)-3,15-bis(4-methoxyphenyl)-22-[4-(4-methoxyphenyl)naphthalen-1-yl]heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene with MolForge

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Related Compounds

3-[4-[7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthen-3-yl]naphthalen-1-yl]-7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthene
CID 163603931
9,24,36-tris(4-methoxyphenyl)tridecacyclo[20.18.2.22,5.16,10.126,30.03,18.04,15.019,41.023,37.025,35.038,42.014,44.034,43]hexatetraconta-1(40),2(46),3(18),4(15),5(45),6,8,10,12,14(44),16,19(41),20,22(42),23,25(35),26,28,30(43),31,33,36,38-tricosaene
CID 147141731
3,15-bis(4-methoxyphenyl)-26,27,29-triphenyldodecacyclo[18.17.2.221,24.15,9.02,16.04,14.017,38.022,34.023,31.025,30.035,39.013,42]dotetraconta-1(38),2,4(14),5,7,9(42),10,12,15,17,19,21(41),22(34),23(31),24(40),25,27,29,32,35(39),36-henicosaene
CID 163861356
5,14,16,21-tetraphenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2,4,6,8,10(30),11(28),12,14,16,18(29),19,21,23,25-pentadecaene
CID 59642470
7,12-bis(4-methoxyphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene
CID 71105856
8,22-bis(9,10-dimethyl-7,12-diphenylbenzo[k]fluoranthen-3-yl)-3,15-bis(4-methylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene
CID 163825678
8-N,22-N-bis(4-methoxyphenyl)-8-N,22-N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine
CID 58890363
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene
CID 173189759
6,13-diphenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaene
CID 168812651
8-(2,6-diphenylphenyl)-13-phenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3,5,7,9,11(26),12,14,16,18(25),19,21,23-tridecaene
CID 123422709
1-(4-methoxyphenyl)-3,6,8-tris(4-naphthalen-1-ylphenyl)pyrene
CID 59391072
3-(7,10-diphenylfluoranthen-3-yl)-7,9,10,12-tetraphenylbenzo[k]fluoranthene
CID 58988912

Frequently Asked Questions

What is the IUPAC name of 8-(7,10-diphenylfluoranthen-3-yl)-3,15-bis(4-methoxyphenyl)-22-[4-(4-methoxyphenyl)naphthalen-1-yl]heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene?
The IUPAC name of 8-(7,10-diphenylfluoranthen-3-yl)-3,15-bis(4-methoxyphenyl)-22-[4-(4-methoxyphenyl)naphthalen-1-yl]heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene (CID 163714484) is 8-(7,10-diphenylfluoranthen-3-yl)-3,15-bis(4-methoxyphenyl)-22-[4-(4-methoxyphenyl)naphthalen-1-yl]heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene.
What is the SMILES notation for 8-(7,10-diphenylfluoranthen-3-yl)-3,15-bis(4-methoxyphenyl)-22-[4-(4-methoxyphenyl)naphthalen-1-yl]heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene?
The canonical SMILES for 8-(7,10-diphenylfluoranthen-3-yl)-3,15-bis(4-methoxyphenyl)-22-[4-(4-methoxyphenyl)naphthalen-1-yl]heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene is COc1ccc(-c2ccc(-c3ccc4c5c(-c6ccc(OC)cc6)c6c7ccc(-c8ccc9c%10c(cccc8%10)-c8c(-c%10ccccc%10)ccc(-c%10ccccc%10)c8-9)c8cccc(c6c(-c6ccc(OC)cc6)c5c5cccc3c54)c87)c3ccccc23)cc1.
What is the InChIKey of 8-(7,10-diphenylfluoranthen-3-yl)-3,15-bis(4-methoxyphenyl)-22-[4-(4-methoxyphenyl)naphthalen-1-yl]heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene?
The InChIKey is KMDJQKOBQRQJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H54O3/c1-86-54-33-27-51(28-34-54)57-39-42-62(61-20-11-10-19-60(57)61)63-44-47-73-78-66(63)22-13-25-70(78)82-75(52-29-35-55(87-2)36-30-52)83-71-26-14-23-68-65(45-48-74(79(68)71)85(83)76(84(73)82)53-31-37-56(88-3)38-32-53)64-43-46-72-77-67(64)21-12-24-69(77)80-58(49-15-6-4-7-16-49)40-41-59(81(72)80)50-17-8-5-9-18-50/h4-48H,1-3H3.
What are the key properties of 8-(7,10-diphenylfluoranthen-3-yl)-3,15-bis(4-methoxyphenyl)-22-[4-(4-methoxyphenyl)naphthalen-1-yl]heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene?
8-(7,10-diphenylfluoranthen-3-yl)-3,15-bis(4-methoxyphenyl)-22-[4-(4-methoxyphenyl)naphthalen-1-yl]heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene has a molecular weight of 1123.36 g/mol, XLogP of 23.13, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7,10-diphenylfluoranthen-3-yl)-3,15-bis(4-methoxyphenyl)-22-[4-(4-methoxyphenyl)naphthalen-1-yl]heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene is sourced from PubChem (CID 163714484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).