4-[12-(4-hydroxyphenyl)-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenol

C33H22O2 — CID 145326544

IUPAC4-[12-(4-hydroxyphenyl)-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenol
SMILESOc1ccc(C2(c3ccc(O)cc3)c3ccc4ccccc4c3-c3ccc4ccccc4c32)cc1
InChIInChI=1S/C33H22O2/c34-25-15-11-23(12-16-25)33(24-13-17-26(35)18-14-24)30-20-10-21-5-1-3-7-27(21)31(30)29-19-9-22-6-2-4-8-28(22)32(29)33/h1-20,34-35H
InChIKeyIUUQTIAVJGBUCX-UHFFFAOYSA-N
MW450.54 g/mol
LogP7.77
Rot. Bonds2

About 4-[12-(4-hydroxyphenyl)-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenol

4-[12-(4-hydroxyphenyl)-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenol (PubChem CID 145326544) has the molecular formula C33H22O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 4-[12-(4-hydroxyphenyl)-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenol.

Molecular Properties

Compound Name4-[12-(4-hydroxyphenyl)-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenol
PubChem CID145326544
Molecular FormulaC33H22O2
Molecular Weight450.54 g/mol
Exact Mass450.16
IUPAC Name4-[12-(4-hydroxyphenyl)-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenol
SMILESOc1ccc(C2(c3ccc(O)cc3)c3ccc4ccccc4c3-c3ccc4ccccc4c32)cc1
InChIInChI=1S/C33H22O2/c34-25-15-11-23(12-16-25)33(24-13-17-26(35)18-14-24)30-20-10-21-5-1-3-7-27(21)31(30)29-19-9-22-6-2-4-8-28(22)32(29)33/h1-20,34-35H
InChIKeyIUUQTIAVJGBUCX-UHFFFAOYSA-N
XLogP7.77
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 57.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[12-(4-hydroxyphenyl)-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenol with MolForge

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Related Compounds

12-(6-ethenoxynaphthalen-2-yl)-12-(6-methoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 144725705
7,7-diphenylbenzo[g]fluoren-9-amine
CID 134361009
CID 140963936
CID 140963936
8-methyl-11,11-bis(4-phenylphenyl)benzo[a]fluorene
CID 158761920
8-chlorospiro[benzo[c]fluorene-7,9'-fluorene]
CID 165158278
7-bromospiro[benzo[a]fluorene-11,9'-fluorene]
CID 134194078
15-methylhexacyclo[12.11.0.02,11.05,10.016,25.017,22]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaen-15-ol
CID 143060369
3-(7-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine
CID 153406387
17'-benzo[c]phenanthren-5-ylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]
CID 140962833
N-(11,11-diphenylbenzo[a]fluoren-9-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-11,11-diphenylbenzo[a]fluoren-9-amine;N-(7,7-diphenylbenzo[g]fluoren-9-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-7,7-diphenylbenzo[g]fluoren-9-amine;2,3,4,5,6-pentadeuterio-N,N-bis[4-(11-phenylbenzo[a]fluoren-11-yl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N,N-bis[4-(11-phenylbenzo[b]fluoren-11-yl)phenyl]aniline
CID 165111097
9-(10-naphthalen-1-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene
CID 166034390
2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]thiirane
CID 161473446

Frequently Asked Questions

What is the IUPAC name of 4-[12-(4-hydroxyphenyl)-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenol?
The IUPAC name of 4-[12-(4-hydroxyphenyl)-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenol (CID 145326544) is 4-[12-(4-hydroxyphenyl)-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenol.
What is the SMILES notation for 4-[12-(4-hydroxyphenyl)-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenol?
The canonical SMILES for 4-[12-(4-hydroxyphenyl)-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenol is Oc1ccc(C2(c3ccc(O)cc3)c3ccc4ccccc4c3-c3ccc4ccccc4c32)cc1.
What is the InChIKey of 4-[12-(4-hydroxyphenyl)-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenol?
The InChIKey is IUUQTIAVJGBUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22O2/c34-25-15-11-23(12-16-25)33(24-13-17-26(35)18-14-24)30-20-10-21-5-1-3-7-27(21)31(30)29-19-9-22-6-2-4-8-28(22)32(29)33/h1-20,34-35H.
What are the key properties of 4-[12-(4-hydroxyphenyl)-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenol?
4-[12-(4-hydroxyphenyl)-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenol has a molecular weight of 450.54 g/mol, XLogP of 7.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[12-(4-hydroxyphenyl)-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenol is sourced from PubChem (CID 145326544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).