[3-(20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-10-yl)-5-methoxyphenyl]methanol

C38H28N2O2 — CID 71037075

IUPAC[3-(20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-10-yl)-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)cc(-n2c3cc4c(cc3c3ncccc32)C(c2ccccc2)(c2ccccc2)c2ccccc2-4)c1
InChIInChI=1S/C38H28N2O2/c1-42-29-20-25(24-41)19-28(21-29)40-35-17-10-18-39-37(35)32-22-34-31(23-36(32)40)30-15-8-9-16-33(30)38(34,26-11-4-2-5-12-26)27-13-6-3-7-14-27/h2-23,41H,24H2,1H3
InChIKeyLYUUGTMCLLOWGR-UHFFFAOYSA-N
MW544.65 g/mol
LogP8.04
Rot. Bonds5

About [3-(20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-10-yl)-5-methoxyphenyl]methanol

[3-(20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-10-yl)-5-methoxyphenyl]methanol (PubChem CID 71037075) has the molecular formula C38H28N2O2 and a molecular weight of 544.65 g/mol. Its IUPAC name is [3-(20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-10-yl)-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[3-(20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-10-yl)-5-methoxyphenyl]methanol
PubChem CID71037075
Molecular FormulaC38H28N2O2
Molecular Weight544.65 g/mol
Exact Mass544.22
IUPAC Name[3-(20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-10-yl)-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)cc(-n2c3cc4c(cc3c3ncccc32)C(c2ccccc2)(c2ccccc2)c2ccccc2-4)c1
InChIInChI=1S/C38H28N2O2/c1-42-29-20-25(24-41)19-28(21-29)40-35-17-10-18-39-37(35)32-22-34-31(23-36(32)40)30-15-8-9-16-33(30)38(34,26-11-4-2-5-12-26)27-13-6-3-7-14-27/h2-23,41H,24H2,1H3
InChIKeyLYUUGTMCLLOWGR-UHFFFAOYSA-N
XLogP8.04
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.65
LogP ≤ 58.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-10-yl)-5-methoxyphenyl]methanol with MolForge

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Related Compounds

10-naphthalen-2-yl-20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
CID 71037072
20,20-diphenyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
CID 71037087
10-(4-dibenzothiophen-4-ylphenyl)-20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
CID 71037093
5-phenyl-8-[3-(9-phenylfluoren-9-yl)phenyl]pyrido[3,2-b]indole
CID 149073025
5-[4-(4-carbazol-9-ylphenyl)phenyl]-11,11-diphenylindeno[1,2-b]carbazole
CID 168783626
2-[4-(20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-10-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;20,20-diphenyl-10-(6-pyridin-4-yl-2-pyridinyl)-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
CID 159904244
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,25,25-triphenyl-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene
CID 67472161
7,7-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 161280871
7,7-diphenyl-5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 158074658
10-cyclohexa-1,5-dien-1-yl-10-phenyl-20-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]-7,20-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 149202346
11,11-bis(4-carbazol-9-ylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[1,2-b]carbazole
CID 87413796
[3-(3,11,11-triphenylindeno[1,2-b]carbazol-5-yl)phenyl]methanamine
CID 121356030

Frequently Asked Questions

What is the IUPAC name of [3-(20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-10-yl)-5-methoxyphenyl]methanol?
The IUPAC name of [3-(20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-10-yl)-5-methoxyphenyl]methanol (CID 71037075) is [3-(20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-10-yl)-5-methoxyphenyl]methanol.
What is the SMILES notation for [3-(20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-10-yl)-5-methoxyphenyl]methanol?
The canonical SMILES for [3-(20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-10-yl)-5-methoxyphenyl]methanol is COc1cc(CO)cc(-n2c3cc4c(cc3c3ncccc32)C(c2ccccc2)(c2ccccc2)c2ccccc2-4)c1.
What is the InChIKey of [3-(20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-10-yl)-5-methoxyphenyl]methanol?
The InChIKey is LYUUGTMCLLOWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N2O2/c1-42-29-20-25(24-41)19-28(21-29)40-35-17-10-18-39-37(35)32-22-34-31(23-36(32)40)30-15-8-9-16-33(30)38(34,26-11-4-2-5-12-26)27-13-6-3-7-14-27/h2-23,41H,24H2,1H3.
What are the key properties of [3-(20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-10-yl)-5-methoxyphenyl]methanol?
[3-(20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-10-yl)-5-methoxyphenyl]methanol has a molecular weight of 544.65 g/mol, XLogP of 8.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-10-yl)-5-methoxyphenyl]methanol is sourced from PubChem (CID 71037075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).