6-phenyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene

C29H18O — CID 162217448

IUPAC6-phenyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene
SMILESc1ccc(-c2ccc3c(c2)Cc2ccc4c(oc5c6ccccc6ccc45)c2-3)cc1
InChIInChI=1S/C29H18O/c1-2-6-18(7-3-1)20-11-13-23-22(16-20)17-21-12-15-26-25-14-10-19-8-4-5-9-24(19)28(25)30-29(26)27(21)23/h1-16H,17H2
InChIKeyZTQWWELLMNXZPT-UHFFFAOYSA-N
MW382.46 g/mol
LogP7.98
Rot. Bonds1

About 6-phenyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene

6-phenyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene (PubChem CID 162217448) has the molecular formula C29H18O and a molecular weight of 382.46 g/mol. Its IUPAC name is 6-phenyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene.

Molecular Properties

Compound Name6-phenyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene
PubChem CID162217448
Molecular FormulaC29H18O
Molecular Weight382.46 g/mol
Exact Mass382.14
IUPAC Name6-phenyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene
SMILESc1ccc(-c2ccc3c(c2)Cc2ccc4c(oc5c6ccccc6ccc45)c2-3)cc1
InChIInChI=1S/C29H18O/c1-2-6-18(7-3-1)20-11-13-23-22(16-20)17-21-12-15-26-25-14-10-19-8-4-5-9-24(19)28(25)30-29(26)27(21)23/h1-16H,17H2
InChIKeyZTQWWELLMNXZPT-UHFFFAOYSA-N
XLogP7.98
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-phenyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene with MolForge

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Related Compounds

7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene
CID 130188697
9-naphthalen-2-yl-10-[3-(7-phenyl-9H-fluoren-2-yl)phenyl]anthracene
CID 59725438
28-oxaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26-tridecaene
CID 158655938
8-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran
CID 170374689
N,10-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 170675174
N,N-diphenyl-10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 170675548
10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 135183312
8-[4-(18-phenyl-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran
CID 138664837
9-(10-phenanthren-9-ylanthracen-9-yl)-7H-benzo[c]fluorene
CID 160788776
2,4-diphenyl-6-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine
CID 171757132
N,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 170675430
N,N-diphenyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-16-amine
CID 159372632

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene?
The IUPAC name of 6-phenyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene (CID 162217448) is 6-phenyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene.
What is the SMILES notation for 6-phenyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene?
The canonical SMILES for 6-phenyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene is c1ccc(-c2ccc3c(c2)Cc2ccc4c(oc5c6ccccc6ccc45)c2-3)cc1.
What is the InChIKey of 6-phenyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene?
The InChIKey is ZTQWWELLMNXZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18O/c1-2-6-18(7-3-1)20-11-13-23-22(16-20)17-21-12-15-26-25-14-10-19-8-4-5-9-24(19)28(25)30-29(26)27(21)23/h1-16H,17H2.
What are the key properties of 6-phenyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene?
6-phenyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene has a molecular weight of 382.46 g/mol, XLogP of 7.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene is sourced from PubChem (CID 162217448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).