6-methyl-21-phenylnonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3(34),4,6,8,10,12(33),13,15,17(31),18,20,22,24,26(32),27,29-heptadecaene

C41H24 — CID 147672921

IUPAC6-methyl-21-phenylnonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3(34),4,6,8,10,12(33),13,15,17(31),18,20,22,24,26(32),27,29-heptadecaene
SMILESCc1ccc2c3c1cccc3c1cccc3c1c2c1cccc2c4cccc5c(-c6ccccc6)ccc(c54)c3c21
InChIInChI=1S/C41H24/c1-23-19-20-34-36-25(23)11-5-13-28(36)30-15-7-18-33-38(30)40(34)32-17-8-16-31-29-14-6-12-27-26(24-9-3-2-4-10-24)21-22-35(37(27)29)41(33)39(31)32/h2-22H,1H3
InChIKeyGNPBTXNMUZLYTO-UHFFFAOYSA-N
MW516.64 g/mol
LogP11.76
Rot. Bonds1

About 6-methyl-21-phenylnonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3(34),4,6,8,10,12(33),13,15,17(31),18,20,22,24,26(32),27,29-heptadecaene

6-methyl-21-phenylnonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3(34),4,6,8,10,12(33),13,15,17(31),18,20,22,24,26(32),27,29-heptadecaene (PubChem CID 147672921) has the molecular formula C41H24 and a molecular weight of 516.64 g/mol. Its IUPAC name is 6-methyl-21-phenylnonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3(34),4,6,8,10,12(33),13,15,17(31),18,20,22,24,26(32),27,29-heptadecaene.

Molecular Properties

Compound Name6-methyl-21-phenylnonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3(34),4,6,8,10,12(33),13,15,17(31),18,20,22,24,26(32),27,29-heptadecaene
PubChem CID147672921
Molecular FormulaC41H24
Molecular Weight516.64 g/mol
Exact Mass516.19
IUPAC Name6-methyl-21-phenylnonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3(34),4,6,8,10,12(33),13,15,17(31),18,20,22,24,26(32),27,29-heptadecaene
SMILESCc1ccc2c3c1cccc3c1cccc3c1c2c1cccc2c4cccc5c(-c6ccccc6)ccc(c54)c3c21
InChIInChI=1S/C41H24/c1-23-19-20-34-36-25(23)11-5-13-28(36)30-15-7-18-33-38(30)40(34)32-17-8-16-31-29-14-6-12-27-26(24-9-3-2-4-10-24)21-22-35(37(27)29)41(33)39(31)32/h2-22H,1H3
InChIKeyGNPBTXNMUZLYTO-UHFFFAOYSA-N
XLogP11.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.64
LogP ≤ 511.76
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 6-methyl-21-phenylnonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3(34),4,6,8,10,12(33),13,15,17(31),18,20,22,24,26(32),27,29-heptadecaene with MolForge

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Related Compounds

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CID 59642391
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
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8,13-dimethyl-3,18-diphenylundecacyclo[21.12.2.29,12.124,28.02,19.04,17.05,10.011,16.020,36.033,37.032,38]tetraconta-1(36),2,4(17),5(10),6,8,11(16),12,14,18,20,22,24,26,28(38),29,31,33(37),34,39-icosaene
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5-methyl-16-(2-phenylphenyl)octacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2(30),3,5,7,9,11(28),12,14,16,18,20,22(29),23,25-pentadecaene
CID 59642879
7,17,27-tris(4-phenylphenyl)heptacyclo[20.8.0.02,11.03,8.012,21.013,18.023,28]triaconta-1,3(8),4,6,9,11,13(18),14,16,19,21,23(28),24,26,29-pentadecaene
CID 139812806
5-methyl-30,32-diphenyl-25-(2-phenylphenyl)undecacyclo[22.12.1.12,6.113,17.127,31.011,37.012,22.026,36.010,40.021,39.035,38]tetraconta-1(36),2(40),3,5,7,9,11,13,15,17(39),18,20,22,24(37),25,27,29,31,33,35(38)-icosaene;5-methyl-23,25-diphenylundecacyclo[22.12.1.12,6.113,17.127,31.011,37.012,22.026,36.010,40.021,39.035,38]tetraconta-1(37),2(40),3,5,7,9,11,13,15,17(39),18,20,22,24,26(36),27,29,31(38),32,34-icosaene;5-methyl-30-phenyl-25-(2-phenylphenyl)undecacyclo[22.12.1.12,6.113,17.127,31.011,37.012,22.026,36.010,40.021,39.035,38]tetraconta-1(36),2(40),3,5,7,9,11,13,15,17(39),18,20,22,24(37),25,27(38),28,30,32,34-icosaene;5-methyl-25-(2-phenylphenyl)undecacyclo[22.12.1.12,6.113,17.127,31.011,37.012,22.026,36.010,40.021,39.035,38]tetraconta-1(36),2(40),3,5,7,9,11,13,15,17(39),18,20,22,24(37),25,27,29,31(38),32,34-icosaene;5-methyl-23,25,30,32-tetraphenylundecacyclo[22.12.1.12,6.113,17.127,31.011,37.012,22.026,36.010,40.021,39.035,38]tetraconta-1(36),2(40),3,5,7,9,11,13,15,17(39),18,20,22,24(37),25,27,29,31,33,35(38)-icosaene;5-methyl-23,25,30-triphenylundecacyclo[22.12.1.12,6.113,17.127,31.011,37.012,22.026,36.010,40.021,39.035,38]tetraconta-1(36),2(40),3,5,7,9,11,13,15,17(39),18,20,22,24(37),25,27(38),28,30,32,34-icosaene
CID 159256172
3,4,9-trimethylperylene
CID 59598979
5-methyl-12,13,14,16,21,23-hexakis-phenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2(30),3,5,7,9,11(28),12,14,16,18,20,22,24,26(29)-pentadecaene
CID 59080769
8-(3,5-diphenylphenyl)-19-phenylhexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14(24),15,17,19,21-dodecaene
CID 59642845
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CID 168812662
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CID 171799128
6,13,16-triphenylheptacyclo[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
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Frequently Asked Questions

What is the IUPAC name of 6-methyl-21-phenylnonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3(34),4,6,8,10,12(33),13,15,17(31),18,20,22,24,26(32),27,29-heptadecaene?
The IUPAC name of 6-methyl-21-phenylnonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3(34),4,6,8,10,12(33),13,15,17(31),18,20,22,24,26(32),27,29-heptadecaene (CID 147672921) is 6-methyl-21-phenylnonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3(34),4,6,8,10,12(33),13,15,17(31),18,20,22,24,26(32),27,29-heptadecaene.
What is the SMILES notation for 6-methyl-21-phenylnonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3(34),4,6,8,10,12(33),13,15,17(31),18,20,22,24,26(32),27,29-heptadecaene?
The canonical SMILES for 6-methyl-21-phenylnonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3(34),4,6,8,10,12(33),13,15,17(31),18,20,22,24,26(32),27,29-heptadecaene is Cc1ccc2c3c1cccc3c1cccc3c1c2c1cccc2c4cccc5c(-c6ccccc6)ccc(c54)c3c21.
What is the InChIKey of 6-methyl-21-phenylnonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3(34),4,6,8,10,12(33),13,15,17(31),18,20,22,24,26(32),27,29-heptadecaene?
The InChIKey is GNPBTXNMUZLYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24/c1-23-19-20-34-36-25(23)11-5-13-28(36)30-15-7-18-33-38(30)40(34)32-17-8-16-31-29-14-6-12-27-26(24-9-3-2-4-10-24)21-22-35(37(27)29)41(33)39(31)32/h2-22H,1H3.
What are the key properties of 6-methyl-21-phenylnonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3(34),4,6,8,10,12(33),13,15,17(31),18,20,22,24,26(32),27,29-heptadecaene?
6-methyl-21-phenylnonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3(34),4,6,8,10,12(33),13,15,17(31),18,20,22,24,26(32),27,29-heptadecaene has a molecular weight of 516.64 g/mol, XLogP of 11.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-21-phenylnonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3(34),4,6,8,10,12(33),13,15,17(31),18,20,22,24,26(32),27,29-heptadecaene is sourced from PubChem (CID 147672921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).