30-tert-butyl-3,23-diphenyldecacyclo[18.13.2.11,11.02,10.04,9.017,34.021,26.027,35.028,33.015,36]hexatriaconta-2(10),4,6,8,11,13,15(36),17(34),18,20(35),21(26),22,24,28(33),29,31-hexadecaene

C52H38 — CID 171607325

IUPAC30-tert-butyl-3,23-diphenyldecacyclo[18.13.2.11,11.02,10.04,9.017,34.021,26.027,35.028,33.015,36]hexatriaconta-2(10),4,6,8,11,13,15(36),17(34),18,20(35),21(26),22,24,28(33),29,31-hexadecaene
SMILESCC(C)(C)c1ccc2c(c1)C1c3ccc(-c4ccccc4)cc3-c3ccc4c(c31)C21C2=C(c3ccccc3C2c2ccccc2)c2cccc(c21)C4
InChIInChI=1S/C52H38/c1-51(2,3)35-23-26-43-42(29-35)45-38-24-21-32(30-13-6-4-7-14-30)28-41(38)39-25-22-34-27-33-17-12-20-40-46-37-19-11-10-18-36(37)44(31-15-8-5-9-16-31)50(46)52(43,48(33)40)49(34)47(39)45/h4-26,28-29,44-45H,27H2,1-3H3
InChIKeyLXSGXCTWTZHJFM-UHFFFAOYSA-N
MW662.88 g/mol
LogP12.32
Rot. Bonds2

About 30-tert-butyl-3,23-diphenyldecacyclo[18.13.2.11,11.02,10.04,9.017,34.021,26.027,35.028,33.015,36]hexatriaconta-2(10),4,6,8,11,13,15(36),17(34),18,20(35),21(26),22,24,28(33),29,31-hexadecaene

30-tert-butyl-3,23-diphenyldecacyclo[18.13.2.11,11.02,10.04,9.017,34.021,26.027,35.028,33.015,36]hexatriaconta-2(10),4,6,8,11,13,15(36),17(34),18,20(35),21(26),22,24,28(33),29,31-hexadecaene (PubChem CID 171607325) has the molecular formula C52H38 and a molecular weight of 662.88 g/mol. Its IUPAC name is 30-tert-butyl-3,23-diphenyldecacyclo[18.13.2.11,11.02,10.04,9.017,34.021,26.027,35.028,33.015,36]hexatriaconta-2(10),4,6,8,11,13,15(36),17(34),18,20(35),21(26),22,24,28(33),29,31-hexadecaene.

Molecular Properties

Compound Name30-tert-butyl-3,23-diphenyldecacyclo[18.13.2.11,11.02,10.04,9.017,34.021,26.027,35.028,33.015,36]hexatriaconta-2(10),4,6,8,11,13,15(36),17(34),18,20(35),21(26),22,24,28(33),29,31-hexadecaene
PubChem CID171607325
Molecular FormulaC52H38
Molecular Weight662.88 g/mol
Exact Mass662.30
IUPAC Name30-tert-butyl-3,23-diphenyldecacyclo[18.13.2.11,11.02,10.04,9.017,34.021,26.027,35.028,33.015,36]hexatriaconta-2(10),4,6,8,11,13,15(36),17(34),18,20(35),21(26),22,24,28(33),29,31-hexadecaene
SMILESCC(C)(C)c1ccc2c(c1)C1c3ccc(-c4ccccc4)cc3-c3ccc4c(c31)C21C2=C(c3ccccc3C2c2ccccc2)c2cccc(c21)C4
InChIInChI=1S/C52H38/c1-51(2,3)35-23-26-43-42(29-35)45-38-24-21-32(30-13-6-4-7-14-30)28-41(38)39-25-22-34-27-33-17-12-20-40-46-37-19-11-10-18-36(37)44(31-15-8-5-9-16-31)50(46)52(43,48(33)40)49(34)47(39)45/h4-26,28-29,44-45H,27H2,1-3H3
InChIKeyLXSGXCTWTZHJFM-UHFFFAOYSA-N
XLogP12.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.88
LogP ≤ 512.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 30-tert-butyl-3,23-diphenyldecacyclo[18.13.2.11,11.02,10.04,9.017,34.021,26.027,35.028,33.015,36]hexatriaconta-2(10),4,6,8,11,13,15(36),17(34),18,20(35),21(26),22,24,28(33),29,31-hexadecaene with MolForge

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Related Compounds

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2-(3,6-ditert-butyl-10-phenyl-9-pyridin-2-yl-10H-anthracen-9-yl)-6-phenylpyridine
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N-[4-(4-tert-butylphenyl)phenyl]-N-phenyl-18-[phenyl-(9-phenyl-9H-fluoren-2-yl)methyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine
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2-[4-[[4-(9H-fluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9H-fluorene
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CID 159865494
11,11-dimethyl-3-[10-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]anthracen-9-yl]benzo[b]fluorene
CID 159290426
9-[4-[4-[4-(9H-fluoren-9-yl)phenyl]-2-phenylphenyl]phenyl]-9H-fluorene
CID 58556035
3-(3-tert-butylphenyl)-9,9-dimethylfluorene
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9-[4-[3-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]phenyl]-9H-fluorene
CID 58556073
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Frequently Asked Questions

What is the IUPAC name of 30-tert-butyl-3,23-diphenyldecacyclo[18.13.2.11,11.02,10.04,9.017,34.021,26.027,35.028,33.015,36]hexatriaconta-2(10),4,6,8,11,13,15(36),17(34),18,20(35),21(26),22,24,28(33),29,31-hexadecaene?
The IUPAC name of 30-tert-butyl-3,23-diphenyldecacyclo[18.13.2.11,11.02,10.04,9.017,34.021,26.027,35.028,33.015,36]hexatriaconta-2(10),4,6,8,11,13,15(36),17(34),18,20(35),21(26),22,24,28(33),29,31-hexadecaene (CID 171607325) is 30-tert-butyl-3,23-diphenyldecacyclo[18.13.2.11,11.02,10.04,9.017,34.021,26.027,35.028,33.015,36]hexatriaconta-2(10),4,6,8,11,13,15(36),17(34),18,20(35),21(26),22,24,28(33),29,31-hexadecaene.
What is the SMILES notation for 30-tert-butyl-3,23-diphenyldecacyclo[18.13.2.11,11.02,10.04,9.017,34.021,26.027,35.028,33.015,36]hexatriaconta-2(10),4,6,8,11,13,15(36),17(34),18,20(35),21(26),22,24,28(33),29,31-hexadecaene?
The canonical SMILES for 30-tert-butyl-3,23-diphenyldecacyclo[18.13.2.11,11.02,10.04,9.017,34.021,26.027,35.028,33.015,36]hexatriaconta-2(10),4,6,8,11,13,15(36),17(34),18,20(35),21(26),22,24,28(33),29,31-hexadecaene is CC(C)(C)c1ccc2c(c1)C1c3ccc(-c4ccccc4)cc3-c3ccc4c(c31)C21C2=C(c3ccccc3C2c2ccccc2)c2cccc(c21)C4.
What is the InChIKey of 30-tert-butyl-3,23-diphenyldecacyclo[18.13.2.11,11.02,10.04,9.017,34.021,26.027,35.028,33.015,36]hexatriaconta-2(10),4,6,8,11,13,15(36),17(34),18,20(35),21(26),22,24,28(33),29,31-hexadecaene?
The InChIKey is LXSGXCTWTZHJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38/c1-51(2,3)35-23-26-43-42(29-35)45-38-24-21-32(30-13-6-4-7-14-30)28-41(38)39-25-22-34-27-33-17-12-20-40-46-37-19-11-10-18-36(37)44(31-15-8-5-9-16-31)50(46)52(43,48(33)40)49(34)47(39)45/h4-26,28-29,44-45H,27H2,1-3H3.
What are the key properties of 30-tert-butyl-3,23-diphenyldecacyclo[18.13.2.11,11.02,10.04,9.017,34.021,26.027,35.028,33.015,36]hexatriaconta-2(10),4,6,8,11,13,15(36),17(34),18,20(35),21(26),22,24,28(33),29,31-hexadecaene?
30-tert-butyl-3,23-diphenyldecacyclo[18.13.2.11,11.02,10.04,9.017,34.021,26.027,35.028,33.015,36]hexatriaconta-2(10),4,6,8,11,13,15(36),17(34),18,20(35),21(26),22,24,28(33),29,31-hexadecaene has a molecular weight of 662.88 g/mol, XLogP of 12.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 30-tert-butyl-3,23-diphenyldecacyclo[18.13.2.11,11.02,10.04,9.017,34.021,26.027,35.028,33.015,36]hexatriaconta-2(10),4,6,8,11,13,15(36),17(34),18,20(35),21(26),22,24,28(33),29,31-hexadecaene is sourced from PubChem (CID 171607325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).