4,11-bis(2,6-diphenylphenyl)nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8(34),9,11,13,15,17,19,21,23,25,27,29(33),30-heptadecaene

C70H42 — CID 123456482

IUPAC4,11-bis(2,6-diphenylphenyl)nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8(34),9,11,13,15,17,19,21,23,25,27,29(33),30-heptadecaene
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-c2cc3c(cc4c5ccccc5c5cccc3c54)c3cc4c(cc23)c2ccc(-c3c(-c5ccccc5)cccc3-c3ccccc3)c3cccc4c32)cc1
InChIInChI=1S/C70H42/c1-5-19-43(20-6-1)47-29-15-30-48(44-21-7-2-8-22-44)67(47)57-37-38-58-60-40-64-62(39-59(60)55-35-18-34-54(57)69(55)58)63-42-65-52-28-14-13-27-51(52)53-33-17-36-56(70(53)65)61(63)41-66(64)68-49(45-23-9-3-10-24-45)31-16-32-50(68)46-25-11-4-12-26-46/h1-42H
InChIKeyNPULDPBYNNPSBZ-UHFFFAOYSA-N
MW883.11 g/mol
LogP19.79
Rot. Bonds6

About 4,11-bis(2,6-diphenylphenyl)nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8(34),9,11,13,15,17,19,21,23,25,27,29(33),30-heptadecaene

4,11-bis(2,6-diphenylphenyl)nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8(34),9,11,13,15,17,19,21,23,25,27,29(33),30-heptadecaene (PubChem CID 123456482) has the molecular formula C70H42 and a molecular weight of 883.11 g/mol. Its IUPAC name is 4,11-bis(2,6-diphenylphenyl)nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8(34),9,11,13,15,17,19,21,23,25,27,29(33),30-heptadecaene.

Molecular Properties

Compound Name4,11-bis(2,6-diphenylphenyl)nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8(34),9,11,13,15,17,19,21,23,25,27,29(33),30-heptadecaene
PubChem CID123456482
Molecular FormulaC70H42
Molecular Weight883.11 g/mol
Exact Mass882.33
IUPAC Name4,11-bis(2,6-diphenylphenyl)nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8(34),9,11,13,15,17,19,21,23,25,27,29(33),30-heptadecaene
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-c2cc3c(cc4c5ccccc5c5cccc3c54)c3cc4c(cc23)c2ccc(-c3c(-c5ccccc5)cccc3-c3ccccc3)c3cccc4c32)cc1
InChIInChI=1S/C70H42/c1-5-19-43(20-6-1)47-29-15-30-48(44-21-7-2-8-22-44)67(47)57-37-38-58-60-40-64-62(39-59(60)55-35-18-34-54(57)69(55)58)63-42-65-52-28-14-13-27-51(52)53-33-17-36-56(70(53)65)61(63)41-66(64)68-49(45-23-9-3-10-24-45)31-16-32-50(68)46-25-11-4-12-26-46/h1-42H
InChIKeyNPULDPBYNNPSBZ-UHFFFAOYSA-N
XLogP19.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.11
LogP ≤ 519.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4,11-bis(2,6-diphenylphenyl)nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8(34),9,11,13,15,17,19,21,23,25,27,29(33),30-heptadecaene with MolForge

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Related Compounds

21-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 156656861
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
7,16,23-triphenylheptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20(28),21,23,25-tetradecaene
CID 123235344
21-(4-phenylnaphthalen-1-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 59629424
3,15-diphenyl-10-(2-phenylnaphthalen-1-yl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene
CID 58068268
10-(2,6-dimethylphenyl)-3,15-bis(2-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene
CID 58068175
7,9,21,28-tetraphenylheptacyclo[16.12.0.02,11.03,8.012,17.020,29.022,27]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene
CID 123534242
3,15-bis(2-methylphenyl)-8-phenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene
CID 168812662
8-(2,6-dimethylphenyl)-21,22-dimethyl-3-phenyl-15-(2-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene
CID 58068102
9,27-diphenyl-14,34-bis(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26,28,30(38),31,33,35-icosaene
CID 59342642
8-(3,5-diphenylphenyl)-3-phenyl-15-(2-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene
CID 58068343
10-(3,5-diphenylphenyl)-3-phenyl-15-(2-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene
CID 176760214

Frequently Asked Questions

What is the IUPAC name of 4,11-bis(2,6-diphenylphenyl)nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8(34),9,11,13,15,17,19,21,23,25,27,29(33),30-heptadecaene?
The IUPAC name of 4,11-bis(2,6-diphenylphenyl)nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8(34),9,11,13,15,17,19,21,23,25,27,29(33),30-heptadecaene (CID 123456482) is 4,11-bis(2,6-diphenylphenyl)nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8(34),9,11,13,15,17,19,21,23,25,27,29(33),30-heptadecaene.
What is the SMILES notation for 4,11-bis(2,6-diphenylphenyl)nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8(34),9,11,13,15,17,19,21,23,25,27,29(33),30-heptadecaene?
The canonical SMILES for 4,11-bis(2,6-diphenylphenyl)nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8(34),9,11,13,15,17,19,21,23,25,27,29(33),30-heptadecaene is c1ccc(-c2cccc(-c3ccccc3)c2-c2cc3c(cc4c5ccccc5c5cccc3c54)c3cc4c(cc23)c2ccc(-c3c(-c5ccccc5)cccc3-c3ccccc3)c3cccc4c32)cc1.
What is the InChIKey of 4,11-bis(2,6-diphenylphenyl)nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8(34),9,11,13,15,17,19,21,23,25,27,29(33),30-heptadecaene?
The InChIKey is NPULDPBYNNPSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H42/c1-5-19-43(20-6-1)47-29-15-30-48(44-21-7-2-8-22-44)67(47)57-37-38-58-60-40-64-62(39-59(60)55-35-18-34-54(57)69(55)58)63-42-65-52-28-14-13-27-51(52)53-33-17-36-56(70(53)65)61(63)41-66(64)68-49(45-23-9-3-10-24-45)31-16-32-50(68)46-25-11-4-12-26-46/h1-42H.
What are the key properties of 4,11-bis(2,6-diphenylphenyl)nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8(34),9,11,13,15,17,19,21,23,25,27,29(33),30-heptadecaene?
4,11-bis(2,6-diphenylphenyl)nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8(34),9,11,13,15,17,19,21,23,25,27,29(33),30-heptadecaene has a molecular weight of 883.11 g/mol, XLogP of 19.79, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-bis(2,6-diphenylphenyl)nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8(34),9,11,13,15,17,19,21,23,25,27,29(33),30-heptadecaene is sourced from PubChem (CID 123456482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).