15-(10,10,20,21-tetramethyl-6-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18-nonaenyl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

C39H30N2O — CID 145339614

IUPAC15-(10,10,20,21-tetramethyl-6-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18-nonaenyl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILESCC1c2ccccc2-c2cc3c(cc2C1C)-c1cc(-c2nc4c5c(cccc5n2)Oc2ccccc2-4)ccc1C3(C)C
InChIInChI=1S/C39H30N2O/c1-21-22(2)27-19-30-29-18-23(16-17-31(29)39(3,4)32(30)20-28(27)25-11-6-5-10-24(21)25)38-40-33-13-9-15-35-36(33)37(41-38)26-12-7-8-14-34(26)42-35/h5-22H,1-4H3
InChIKeyDSWCGHPJBPFULS-UHFFFAOYSA-N
MW542.68 g/mol
LogP10.26
Rot. Bonds1

About 15-(10,10,20,21-tetramethyl-6-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18-nonaenyl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

15-(10,10,20,21-tetramethyl-6-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18-nonaenyl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (PubChem CID 145339614) has the molecular formula C39H30N2O and a molecular weight of 542.68 g/mol. Its IUPAC name is 15-(10,10,20,21-tetramethyl-6-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18-nonaenyl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

Molecular Properties

Compound Name15-(10,10,20,21-tetramethyl-6-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18-nonaenyl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
PubChem CID145339614
Molecular FormulaC39H30N2O
Molecular Weight542.68 g/mol
Exact Mass542.24
IUPAC Name15-(10,10,20,21-tetramethyl-6-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18-nonaenyl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILESCC1c2ccccc2-c2cc3c(cc2C1C)-c1cc(-c2nc4c5c(cccc5n2)Oc2ccccc2-4)ccc1C3(C)C
InChIInChI=1S/C39H30N2O/c1-21-22(2)27-19-30-29-18-23(16-17-31(29)39(3,4)32(30)20-28(27)25-11-6-5-10-24(21)25)38-40-33-13-9-15-35-36(33)37(41-38)26-12-7-8-14-34(26)42-35/h5-22H,1-4H3
InChIKeyDSWCGHPJBPFULS-UHFFFAOYSA-N
XLogP10.26
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.68
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 15-(10,10,20,21-tetramethyl-6-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18-nonaenyl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene with MolForge

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Related Compounds

15-(9,9-dimethylfluoren-2-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 129297128
2-(9,9-dimethylfluoren-3-yl)-4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 164936930
4-(9,9-dimethylfluoren-3-yl)-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-2-phenylpyrimidine
CID 164936996
2-(9,9-dimethylfluoren-4-yl)-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-6-phenyl-1,3,5-triazine
CID 164937269
2-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)-4-phenylquinazoline
CID 138574402
2-[3-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)phenyl]-4-phenylquinazoline
CID 138574124
15-[3-[7-(9,9-dimethylfluoren-3-yl)benzo[c]carbazol-10-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 129297940
2-(9,9-dimethylfluoren-3-yl)-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine
CID 165150998
4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 171046100
2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenylquinazoline
CID 164936942
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-4-(9,9-dimethylfluoren-2-yl)quinazoline
CID 140907283
N,4-bis(9,9-dimethylfluoren-2-yl)-N,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-amine
CID 171727139

Frequently Asked Questions

What is the IUPAC name of 15-(10,10,20,21-tetramethyl-6-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18-nonaenyl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The IUPAC name of 15-(10,10,20,21-tetramethyl-6-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18-nonaenyl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (CID 145339614) is 15-(10,10,20,21-tetramethyl-6-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18-nonaenyl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.
What is the SMILES notation for 15-(10,10,20,21-tetramethyl-6-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18-nonaenyl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The canonical SMILES for 15-(10,10,20,21-tetramethyl-6-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18-nonaenyl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is CC1c2ccccc2-c2cc3c(cc2C1C)-c1cc(-c2nc4c5c(cccc5n2)Oc2ccccc2-4)ccc1C3(C)C.
What is the InChIKey of 15-(10,10,20,21-tetramethyl-6-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18-nonaenyl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The InChIKey is DSWCGHPJBPFULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30N2O/c1-21-22(2)27-19-30-29-18-23(16-17-31(29)39(3,4)32(30)20-28(27)25-11-6-5-10-24(21)25)38-40-33-13-9-15-35-36(33)37(41-38)26-12-7-8-14-34(26)42-35/h5-22H,1-4H3.
What are the key properties of 15-(10,10,20,21-tetramethyl-6-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18-nonaenyl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
15-(10,10,20,21-tetramethyl-6-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18-nonaenyl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene has a molecular weight of 542.68 g/mol, XLogP of 10.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(10,10,20,21-tetramethyl-6-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18-nonaenyl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is sourced from PubChem (CID 145339614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).