17-methyl-12,18-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,18,20-nonaene

C33H25N — CID 90943577

IUPAC17-methyl-12,18-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,18,20-nonaene
SMILESCC1Cc2cc3c(cc2C=C1c1ccccc1)c1c2ccccc2ccc1n3-c1ccccc1
InChIInChI=1S/C33H25N/c1-22-18-25-21-32-30(20-26(25)19-29(22)23-10-4-2-5-11-23)33-28-15-9-8-12-24(28)16-17-31(33)34(32)27-13-6-3-7-14-27/h2-17,19-22H,18H2,1H3
InChIKeyCOFSKXSTIFJFIS-UHFFFAOYSA-N
MW435.57 g/mol
LogP8.67
Rot. Bonds2

About 17-methyl-12,18-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,18,20-nonaene

17-methyl-12,18-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,18,20-nonaene (PubChem CID 90943577) has the molecular formula C33H25N and a molecular weight of 435.57 g/mol. Its IUPAC name is 17-methyl-12,18-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,18,20-nonaene.

Molecular Properties

Compound Name17-methyl-12,18-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,18,20-nonaene
PubChem CID90943577
Molecular FormulaC33H25N
Molecular Weight435.57 g/mol
Exact Mass435.20
IUPAC Name17-methyl-12,18-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,18,20-nonaene
SMILESCC1Cc2cc3c(cc2C=C1c1ccccc1)c1c2ccccc2ccc1n3-c1ccccc1
InChIInChI=1S/C33H25N/c1-22-18-25-21-32-30(20-26(25)19-29(22)23-10-4-2-5-11-23)33-28-15-9-8-12-24(28)16-17-31(33)34(32)27-13-6-3-7-14-27/h2-17,19-22H,18H2,1H3
InChIKeyCOFSKXSTIFJFIS-UHFFFAOYSA-N
XLogP8.67
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 17-methyl-12,18-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,18,20-nonaene with MolForge

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Related Compounds

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CID 154589180
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7-phenyl-10-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]benzo[c]carbazole
CID 129290171
16-(3-naphthalen-1-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 174232921
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[c]carbazole
CID 118133204
15,19,24-triphenyl-15,19,24-triazanonacyclo[19.15.0.02,18.04,16.05,14.06,11.023,35.025,34.028,33]hexatriaconta-1(36),2,4(16),5(14),6,8,10,12,17,21,23(35),25(34),26,28,30,32-hexadecaen-20-one
CID 168933321
7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole;7-phenyl-2-(7-phenylbenzo[g]carbazol-9-yl)benzo[c]carbazole;7-phenyl-3-(7-phenylbenzo[g]carbazol-9-yl)benzo[c]carbazole
CID 159885247
10-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole
CID 58511518
7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 130351055
12-(2,6-diphenyl-1,2-dihydropyridin-4-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 130184193
12-phenyl-16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 134222275
16-[2,5-dimethyl-4-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 163572455

Frequently Asked Questions

What is the IUPAC name of 17-methyl-12,18-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,18,20-nonaene?
The IUPAC name of 17-methyl-12,18-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,18,20-nonaene (CID 90943577) is 17-methyl-12,18-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,18,20-nonaene.
What is the SMILES notation for 17-methyl-12,18-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,18,20-nonaene?
The canonical SMILES for 17-methyl-12,18-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,18,20-nonaene is CC1Cc2cc3c(cc2C=C1c1ccccc1)c1c2ccccc2ccc1n3-c1ccccc1.
What is the InChIKey of 17-methyl-12,18-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,18,20-nonaene?
The InChIKey is COFSKXSTIFJFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N/c1-22-18-25-21-32-30(20-26(25)19-29(22)23-10-4-2-5-11-23)33-28-15-9-8-12-24(28)16-17-31(33)34(32)27-13-6-3-7-14-27/h2-17,19-22H,18H2,1H3.
What are the key properties of 17-methyl-12,18-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,18,20-nonaene?
17-methyl-12,18-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,18,20-nonaene has a molecular weight of 435.57 g/mol, XLogP of 8.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methyl-12,18-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,18,20-nonaene is sourced from PubChem (CID 90943577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).