3,10-dinaphthalen-2-yl-6,7-diphenyloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16,18,20(30),21,23,25(29),26-pentadecaene

C62H36 — CID 59642479

IUPAC3,10-dinaphthalen-2-yl-6,7-diphenyloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16,18,20(30),21,23,25(29),26-pentadecaene
SMILESc1ccc(-c2cc3c(-c4ccc5ccccc5c4)c4c(c(-c5ccc6ccccc6c5)c3cc2-c2ccccc2)-c2ccc3c5cccc6cccc(c7ccc-4c2c73)c65)cc1
InChIInChI=1S/C62H36/c1-3-15-39(16-4-1)52-35-54-55(36-53(52)40-17-5-2-6-18-40)58(45-28-26-38-14-8-10-20-43(38)34-45)62-51-32-30-49-47-24-12-22-41-21-11-23-46(56(41)47)48-29-31-50(60(51)59(48)49)61(62)57(54)44-27-25-37-13-7-9-19-42(37)33-44/h1-36H
InChIKeyFZKRSUFSTNWLOM-UHFFFAOYSA-N
MW780.97 g/mol
LogP17.51
Rot. Bonds4

About 3,10-dinaphthalen-2-yl-6,7-diphenyloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16,18,20(30),21,23,25(29),26-pentadecaene

3,10-dinaphthalen-2-yl-6,7-diphenyloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16,18,20(30),21,23,25(29),26-pentadecaene (PubChem CID 59642479) has the molecular formula C62H36 and a molecular weight of 780.97 g/mol. Its IUPAC name is 3,10-dinaphthalen-2-yl-6,7-diphenyloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16,18,20(30),21,23,25(29),26-pentadecaene.

Molecular Properties

Compound Name3,10-dinaphthalen-2-yl-6,7-diphenyloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16,18,20(30),21,23,25(29),26-pentadecaene
PubChem CID59642479
Molecular FormulaC62H36
Molecular Weight780.97 g/mol
Exact Mass780.28
IUPAC Name3,10-dinaphthalen-2-yl-6,7-diphenyloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16,18,20(30),21,23,25(29),26-pentadecaene
SMILESc1ccc(-c2cc3c(-c4ccc5ccccc5c4)c4c(c(-c5ccc6ccccc6c5)c3cc2-c2ccccc2)-c2ccc3c5cccc6cccc(c7ccc-4c2c73)c65)cc1
InChIInChI=1S/C62H36/c1-3-15-39(16-4-1)52-35-54-55(36-53(52)40-17-5-2-6-18-40)58(45-28-26-38-14-8-10-20-43(38)34-45)62-51-32-30-49-47-24-12-22-41-21-11-23-46(56(41)47)48-29-31-50(60(51)59(48)49)61(62)57(54)44-27-25-37-13-7-9-19-42(37)33-44/h1-36H
InChIKeyFZKRSUFSTNWLOM-UHFFFAOYSA-N
XLogP17.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.97
LogP ≤ 517.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3,10-dinaphthalen-2-yl-6,7-diphenyloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16,18,20(30),21,23,25(29),26-pentadecaene with MolForge

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Related Compounds

7,10,14,25,28,32-hexakis-phenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2(40),3(19),4(16),5(39),6,8(13),9,11,14,17,20,22,24,26(31),27,29,32,34(38),35-icosaene;7,10,14,25,29,32-hexakis-phenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2(40),3(19),4(16),5(39),6,8(13),9,11,14,17,20(37),21,23(38),24,26(31),27,29,32,34-icosaene;7,14,25,32-tetranaphthalen-2-yl-10,11,28,29-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene
CID 160833815
benzene;7,25-diphenyl-14,32-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,14,16,18,20(37),21,23(38),24,26,28,30,32,34,39-icosaene;7,32-diphenyl-14,25-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene;7,10,14,25,29,32-hexakis-phenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2(40),3(19),4(16),5(39),6,8(13),9,11,14,17,20(37),21,23(38),24,26(31),27,29,32,34-icosaene;7,14,25,32-tetranaphthalen-2-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene
CID 161194758
3-[9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthene;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-12-naphthalen-2-ylbenzo[k]fluoranthen-3-yl)benzo[k]fluoranthene;9,10,12-triphenyl-7-(4-phenylphenyl)-4-[9,10,12-triphenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
CID 162198422
7,25-bis(2-methylphenyl)-14,32-dinaphthalen-2-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2(40),3(19),4(16),5(39),6,8,10,12,14,17,20,22,24,26,28,30,32,34(38),35-icosaene;7,32-bis(2-methylphenyl)-14,25-dinaphthalen-2-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2(40),3(19),4(16),5(39),6,8,10,12,14,17,20(37),21,23(38),24,26,28,30,32,34-icosaene;7,25-dinaphthalen-2-yl-14,32-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,14,16,18,20(37),21,23(38),24,26,28,30,32,34,39-icosaene;7,32-dinaphthalen-2-yl-14,25-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene
CID 159627390
3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58988736
3,10-bis(2-phenylphenyl)octacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16,18,20(30),21,23,25(29),26-pentadecaene;3,10-bis(3-phenylphenyl)octacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16,18,20(30),21,23,25(29),26-pentadecaene;3-(2-methylphenyl)-10-naphthalen-1-yloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16,18,20(30),21,23,25(29),26-pentadecaene;3-(2-methylphenyl)-10-naphthalen-2-yloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(27),2,4,6,8,10,12(28),13,15(29),16,18,20(30),21,23,25-pentadecaene;3-naphthalen-1-yl-10-phenyloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(27),2,4,6,8,10,12(28),13,15(29),16,18,20(30),21,23,25-pentadecaene;3-naphthalen-2-yl-10-phenyloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(27),2,4,6,8,10,12(28),13,15(29),16,18,20(30),21,23,25-pentadecaene
CID 160845252
7,14,25,37-tetraphenyltridecacyclo[21.18.2.22,5.127,31.03,19.04,16.06,15.08,13.020,42.024,38.026,36.039,43.035,44]hexatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26(36),27,29,31(44),32,34,37,39(43),40,45-tricosaene
CID 153474269
7,36-diphenyl-14,25-bis(2-phenylphenyl)dodecacyclo[21.17.2.22,5.03,19.04,16.06,15.08,13.020,41.024,37.026,35.028,33.038,42]tetratetraconta-1(41),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38(42),39,43-docosaene
CID 59642874
3,6,7,10,17,20,21,24-octakis-phenyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene
CID 140722746
3-(7,12-dinaphthalen-2-yl-9,10-diphenylbenzo[k]fluoranthen-3-yl)-7,12-dinaphthalen-2-yl-9,10-diphenylbenzo[k]fluoranthene;3-(7,10-diphenylfluoranthen-3-yl)-7,12-diphenylbenzo[k]fluoranthene;3-fluoranthen-3-ylbenzo[k]fluoranthene;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-12-naphthalen-2-yl-9,10-diphenylbenzo[k]fluoranthen-3-yl)-9,10-diphenylbenzo[k]fluoranthene
CID 158336338
3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene
CID 140717774
3,26-bis(4-phenylphenyl)undecacyclo[36.3.1.02,27.04,25.06,23.07,16.09,14.017,22.028,41.031,40.034,39]dotetraconta-1(42),2,4(25),5,7,9,11,13,15,17,19,21,23,26,28(41),29,31(40),32,34(39),35,37-henicosaene
CID 123212258

Frequently Asked Questions

What is the IUPAC name of 3,10-dinaphthalen-2-yl-6,7-diphenyloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16,18,20(30),21,23,25(29),26-pentadecaene?
The IUPAC name of 3,10-dinaphthalen-2-yl-6,7-diphenyloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16,18,20(30),21,23,25(29),26-pentadecaene (CID 59642479) is 3,10-dinaphthalen-2-yl-6,7-diphenyloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16,18,20(30),21,23,25(29),26-pentadecaene.
What is the SMILES notation for 3,10-dinaphthalen-2-yl-6,7-diphenyloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16,18,20(30),21,23,25(29),26-pentadecaene?
The canonical SMILES for 3,10-dinaphthalen-2-yl-6,7-diphenyloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16,18,20(30),21,23,25(29),26-pentadecaene is c1ccc(-c2cc3c(-c4ccc5ccccc5c4)c4c(c(-c5ccc6ccccc6c5)c3cc2-c2ccccc2)-c2ccc3c5cccc6cccc(c7ccc-4c2c73)c65)cc1.
What is the InChIKey of 3,10-dinaphthalen-2-yl-6,7-diphenyloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16,18,20(30),21,23,25(29),26-pentadecaene?
The InChIKey is FZKRSUFSTNWLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36/c1-3-15-39(16-4-1)52-35-54-55(36-53(52)40-17-5-2-6-18-40)58(45-28-26-38-14-8-10-20-43(38)34-45)62-51-32-30-49-47-24-12-22-41-21-11-23-46(56(41)47)48-29-31-50(60(51)59(48)49)61(62)57(54)44-27-25-37-13-7-9-19-42(37)33-44/h1-36H.
What are the key properties of 3,10-dinaphthalen-2-yl-6,7-diphenyloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16,18,20(30),21,23,25(29),26-pentadecaene?
3,10-dinaphthalen-2-yl-6,7-diphenyloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16,18,20(30),21,23,25(29),26-pentadecaene has a molecular weight of 780.97 g/mol, XLogP of 17.51, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-dinaphthalen-2-yl-6,7-diphenyloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16,18,20(30),21,23,25(29),26-pentadecaene is sourced from PubChem (CID 59642479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).