17,35-bis(4-methoxyphenyl)-14,14,32,32-tetramethylnonacyclo[19.15.0.03,19.04,16.07,15.08,13.022,34.025,33.026,31]hexatriaconta-1,3,5,7(15),8,10,12,16,18,20,22(34),23,25(33),26,28,30,35-heptadecaene

C54H42O2 — CID 89417508

IUPAC17,35-bis(4-methoxyphenyl)-14,14,32,32-tetramethylnonacyclo[19.15.0.03,19.04,16.07,15.08,13.022,34.025,33.026,31]hexatriaconta-1,3,5,7(15),8,10,12,16,18,20,22(34),23,25(33),26,28,30,35-heptadecaene
SMILESCOc1ccc(-c2cc3cc4c(cc(-c5ccc(OC)cc5)c5c6c(ccc54)-c4ccccc4C6(C)C)cc3c3ccc4c(c23)C(C)(C)c2ccccc2-4)cc1
InChIInChI=1S/C54H42O2/c1-53(2)47-13-9-7-11-37(47)41-25-23-39-43-27-34-30-46(32-17-21-36(56-6)22-18-32)50-40(24-26-42-38-12-8-10-14-48(38)54(3,4)52(42)50)44(34)28-33(43)29-45(49(39)51(41)53)31-15-19-35(55-5)20-16-31/h7-30H,1-6H3
InChIKeyWQTJUXVPFNWQPQ-UHFFFAOYSA-N
MW722.93 g/mol
LogP14.26
Rot. Bonds4

About 17,35-bis(4-methoxyphenyl)-14,14,32,32-tetramethylnonacyclo[19.15.0.03,19.04,16.07,15.08,13.022,34.025,33.026,31]hexatriaconta-1,3,5,7(15),8,10,12,16,18,20,22(34),23,25(33),26,28,30,35-heptadecaene

17,35-bis(4-methoxyphenyl)-14,14,32,32-tetramethylnonacyclo[19.15.0.03,19.04,16.07,15.08,13.022,34.025,33.026,31]hexatriaconta-1,3,5,7(15),8,10,12,16,18,20,22(34),23,25(33),26,28,30,35-heptadecaene (PubChem CID 89417508) has the molecular formula C54H42O2 and a molecular weight of 722.93 g/mol. Its IUPAC name is 17,35-bis(4-methoxyphenyl)-14,14,32,32-tetramethylnonacyclo[19.15.0.03,19.04,16.07,15.08,13.022,34.025,33.026,31]hexatriaconta-1,3,5,7(15),8,10,12,16,18,20,22(34),23,25(33),26,28,30,35-heptadecaene.

Molecular Properties

Compound Name17,35-bis(4-methoxyphenyl)-14,14,32,32-tetramethylnonacyclo[19.15.0.03,19.04,16.07,15.08,13.022,34.025,33.026,31]hexatriaconta-1,3,5,7(15),8,10,12,16,18,20,22(34),23,25(33),26,28,30,35-heptadecaene
PubChem CID89417508
Molecular FormulaC54H42O2
Molecular Weight722.93 g/mol
Exact Mass722.32
IUPAC Name17,35-bis(4-methoxyphenyl)-14,14,32,32-tetramethylnonacyclo[19.15.0.03,19.04,16.07,15.08,13.022,34.025,33.026,31]hexatriaconta-1,3,5,7(15),8,10,12,16,18,20,22(34),23,25(33),26,28,30,35-heptadecaene
SMILESCOc1ccc(-c2cc3cc4c(cc(-c5ccc(OC)cc5)c5c6c(ccc54)-c4ccccc4C6(C)C)cc3c3ccc4c(c23)C(C)(C)c2ccccc2-4)cc1
InChIInChI=1S/C54H42O2/c1-53(2)47-13-9-7-11-37(47)41-25-23-39-43-27-34-30-46(32-17-21-36(56-6)22-18-32)50-40(24-26-42-38-12-8-10-14-48(38)54(3,4)52(42)50)44(34)28-33(43)29-45(49(39)51(41)53)31-15-19-35(55-5)20-16-31/h7-30H,1-6H3
InChIKeyWQTJUXVPFNWQPQ-UHFFFAOYSA-N
XLogP14.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.93
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 17,35-bis(4-methoxyphenyl)-14,14,32,32-tetramethylnonacyclo[19.15.0.03,19.04,16.07,15.08,13.022,34.025,33.026,31]hexatriaconta-1,3,5,7(15),8,10,12,16,18,20,22(34),23,25(33),26,28,30,35-heptadecaene with MolForge

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Related Compounds

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CID 123876471
2-(9,9-dimethylfluoren-2-yl)-7-[6-(6-methoxynaphthalen-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
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9-(9,9-dimethylfluoren-3-yl)-10-(4-methoxyphenyl)-2-naphthalen-1-ylanthracene
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5,5,19,19-tetramethyl-2,16-diphenylheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaene
CID 58142415
N,N-bis(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine
CID 20734434
11,11-dimethyl-12-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]indeno[2,1-i]phenanthridine
CID 129122942
5-(9,9-dimethylfluoren-1-yl)benzo[c]phenanthrene
CID 140710620
5-(9,9-dimethylfluoren-1-yl)-8-naphthalen-1-ylbenzo[c]phenanthrene
CID 59282310
9-(7-methoxy-9,9-dimethylfluoren-2-yl)-10-[7-[10-(7-methoxy-9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
CID 20822065
5,8-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[2-(4-phenylphenyl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(4-phenylphenyl)phenyl]benzo[c]phenanthrene
CID 158517485
9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-23,23-dimethyl-12-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
CID 130186172
24,24-dimethyl-N-naphthalen-2-yl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine
CID 164721921

Frequently Asked Questions

What is the IUPAC name of 17,35-bis(4-methoxyphenyl)-14,14,32,32-tetramethylnonacyclo[19.15.0.03,19.04,16.07,15.08,13.022,34.025,33.026,31]hexatriaconta-1,3,5,7(15),8,10,12,16,18,20,22(34),23,25(33),26,28,30,35-heptadecaene?
The IUPAC name of 17,35-bis(4-methoxyphenyl)-14,14,32,32-tetramethylnonacyclo[19.15.0.03,19.04,16.07,15.08,13.022,34.025,33.026,31]hexatriaconta-1,3,5,7(15),8,10,12,16,18,20,22(34),23,25(33),26,28,30,35-heptadecaene (CID 89417508) is 17,35-bis(4-methoxyphenyl)-14,14,32,32-tetramethylnonacyclo[19.15.0.03,19.04,16.07,15.08,13.022,34.025,33.026,31]hexatriaconta-1,3,5,7(15),8,10,12,16,18,20,22(34),23,25(33),26,28,30,35-heptadecaene.
What is the SMILES notation for 17,35-bis(4-methoxyphenyl)-14,14,32,32-tetramethylnonacyclo[19.15.0.03,19.04,16.07,15.08,13.022,34.025,33.026,31]hexatriaconta-1,3,5,7(15),8,10,12,16,18,20,22(34),23,25(33),26,28,30,35-heptadecaene?
The canonical SMILES for 17,35-bis(4-methoxyphenyl)-14,14,32,32-tetramethylnonacyclo[19.15.0.03,19.04,16.07,15.08,13.022,34.025,33.026,31]hexatriaconta-1,3,5,7(15),8,10,12,16,18,20,22(34),23,25(33),26,28,30,35-heptadecaene is COc1ccc(-c2cc3cc4c(cc(-c5ccc(OC)cc5)c5c6c(ccc54)-c4ccccc4C6(C)C)cc3c3ccc4c(c23)C(C)(C)c2ccccc2-4)cc1.
What is the InChIKey of 17,35-bis(4-methoxyphenyl)-14,14,32,32-tetramethylnonacyclo[19.15.0.03,19.04,16.07,15.08,13.022,34.025,33.026,31]hexatriaconta-1,3,5,7(15),8,10,12,16,18,20,22(34),23,25(33),26,28,30,35-heptadecaene?
The InChIKey is WQTJUXVPFNWQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42O2/c1-53(2)47-13-9-7-11-37(47)41-25-23-39-43-27-34-30-46(32-17-21-36(56-6)22-18-32)50-40(24-26-42-38-12-8-10-14-48(38)54(3,4)52(42)50)44(34)28-33(43)29-45(49(39)51(41)53)31-15-19-35(55-5)20-16-31/h7-30H,1-6H3.
What are the key properties of 17,35-bis(4-methoxyphenyl)-14,14,32,32-tetramethylnonacyclo[19.15.0.03,19.04,16.07,15.08,13.022,34.025,33.026,31]hexatriaconta-1,3,5,7(15),8,10,12,16,18,20,22(34),23,25(33),26,28,30,35-heptadecaene?
17,35-bis(4-methoxyphenyl)-14,14,32,32-tetramethylnonacyclo[19.15.0.03,19.04,16.07,15.08,13.022,34.025,33.026,31]hexatriaconta-1,3,5,7(15),8,10,12,16,18,20,22(34),23,25(33),26,28,30,35-heptadecaene has a molecular weight of 722.93 g/mol, XLogP of 14.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17,35-bis(4-methoxyphenyl)-14,14,32,32-tetramethylnonacyclo[19.15.0.03,19.04,16.07,15.08,13.022,34.025,33.026,31]hexatriaconta-1,3,5,7(15),8,10,12,16,18,20,22(34),23,25(33),26,28,30,35-heptadecaene is sourced from PubChem (CID 89417508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).