(18Z,20Z)-16,16-dimethyl-3-(1-methylbenzimidazol-2-yl)-22-methylidene-3-azapentacyclo[11.11.0.02,10.04,9.015,23]tetracosa-1(24),2(10),4,6,8,11,13,15(23),18,20-decaene

C34H29N3 — CID 122467151

IUPAC(18Z,20Z)-16,16-dimethyl-3-(1-methylbenzimidazol-2-yl)-22-methylidene-3-azapentacyclo[11.11.0.02,10.04,9.015,23]tetracosa-1(24),2(10),4,6,8,11,13,15(23),18,20-decaene
SMILESC=C1/C=C\C=C/CC(C)(C)c2cc3ccc4c5ccccc5n(-c5nc6ccccc6n5C)c4c3cc21
InChIInChI=1S/C34H29N3/c1-22-12-6-5-11-19-34(2,3)28-20-23-17-18-25-24-13-7-9-15-30(24)37(32(25)27(23)21-26(22)28)33-35-29-14-8-10-16-31(29)36(33)4/h5-18,20-21H,1,19H2,2-4H3/b11-5-,12-6-
InChIKeyBWUZOUJEXGXIIG-CBIKUMSCSA-N
MW479.63 g/mol
LogP8.63
Rot. Bonds1

About (18Z,20Z)-16,16-dimethyl-3-(1-methylbenzimidazol-2-yl)-22-methylidene-3-azapentacyclo[11.11.0.02,10.04,9.015,23]tetracosa-1(24),2(10),4,6,8,11,13,15(23),18,20-decaene

(18Z,20Z)-16,16-dimethyl-3-(1-methylbenzimidazol-2-yl)-22-methylidene-3-azapentacyclo[11.11.0.02,10.04,9.015,23]tetracosa-1(24),2(10),4,6,8,11,13,15(23),18,20-decaene (PubChem CID 122467151) has the molecular formula C34H29N3 and a molecular weight of 479.63 g/mol. Its IUPAC name is (18Z,20Z)-16,16-dimethyl-3-(1-methylbenzimidazol-2-yl)-22-methylidene-3-azapentacyclo[11.11.0.02,10.04,9.015,23]tetracosa-1(24),2(10),4,6,8,11,13,15(23),18,20-decaene.

Molecular Properties

Compound Name(18Z,20Z)-16,16-dimethyl-3-(1-methylbenzimidazol-2-yl)-22-methylidene-3-azapentacyclo[11.11.0.02,10.04,9.015,23]tetracosa-1(24),2(10),4,6,8,11,13,15(23),18,20-decaene
PubChem CID122467151
Molecular FormulaC34H29N3
Molecular Weight479.63 g/mol
Exact Mass479.24
IUPAC Name(18Z,20Z)-16,16-dimethyl-3-(1-methylbenzimidazol-2-yl)-22-methylidene-3-azapentacyclo[11.11.0.02,10.04,9.015,23]tetracosa-1(24),2(10),4,6,8,11,13,15(23),18,20-decaene
SMILESC=C1/C=C\C=C/CC(C)(C)c2cc3ccc4c5ccccc5n(-c5nc6ccccc6n5C)c4c3cc21
InChIInChI=1S/C34H29N3/c1-22-12-6-5-11-19-34(2,3)28-20-23-17-18-25-24-13-7-9-15-30(24)37(32(25)27(23)21-26(22)28)33-35-29-14-8-10-16-31(29)36(33)4/h5-18,20-21H,1,19H2,2-4H3/b11-5-,12-6-
InChIKeyBWUZOUJEXGXIIG-CBIKUMSCSA-N
XLogP8.63
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.63
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (18Z,20Z)-16,16-dimethyl-3-(1-methylbenzimidazol-2-yl)-22-methylidene-3-azapentacyclo[11.11.0.02,10.04,9.015,23]tetracosa-1(24),2(10),4,6,8,11,13,15(23),18,20-decaene with MolForge

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Related Compounds

22,22-dimethyl-3-(1-methylbenzimidazol-2-yl)-3-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene
CID 122464562
(16Z,18Z)-14,14-dimethyl-20-methylidene-10-phenyl-10-azatetracyclo[11.7.0.03,11.04,9]icosa-1(13),2,4,6,8,11,16,18-octaene
CID 122491668
(4Z,6Z)-9,9-dimethyl-22-(9-methylcarbazol-1-yl)-3-methylidene-22-azapentacyclo[11.11.0.02,10.015,23.016,21]tetracosa-1(24),2(10),4,6,11,13,15(23),16,18,20-decaene
CID 122467155
2-[(4Z,6Z)-9,9-dimethyl-3-methylidene-22-azapentacyclo[11.11.0.02,10.015,23.016,21]tetracosa-1(24),2(10),4,6,11,13,15(23),16,18,20-decaen-22-yl]-1,3-benzoxazole
CID 122467144
3-[9-[4-[(6Z,8Z)-11,11-dimethyl-5-methylidene-10H-benzo[9]annulen-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118198571
2-(16,16-dimethyl-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaen-3-yl)-1,3-benzothiazole
CID 122464525
(6Z,8Z)-3'-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-12'-(2,6-diphenyl-4-pyridinyl)-5-methylidenespiro[10H-benzo[9]annulene-11,7'-indeno[1,2-a]carbazole]
CID 118613564
22,22-dimethyl-3-quinazolin-2-yl-3-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene
CID 122464290
9-(9,9-dimethylfluoren-2-yl)-3-[(3Z,5Z)-1-(9,9-dimethylfluoren-2-yl)-7-methylidene-2H-1-benzazonin-9-yl]carbazole
CID 130244452
12,12-dimethyl-11-(1-methylbenzimidazol-2-yl)indeno[2,1-a]carbazole;12,12-dimethyl-11-naphthalen-2-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-phenylindeno[2,1-a]carbazole;11-[4-(3,5-diphenylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 157451111
12,12-dimethyl-15-(1-phenylbenzimidazol-2-yl)-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 122464575
2'-[(11Z,13Z)-15-methylidene-4-tricyclo[7.6.1.05,16]hexadeca-1,3,5,7,9(16),11,13-heptaenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 118049700

Frequently Asked Questions

What is the IUPAC name of (18Z,20Z)-16,16-dimethyl-3-(1-methylbenzimidazol-2-yl)-22-methylidene-3-azapentacyclo[11.11.0.02,10.04,9.015,23]tetracosa-1(24),2(10),4,6,8,11,13,15(23),18,20-decaene?
The IUPAC name of (18Z,20Z)-16,16-dimethyl-3-(1-methylbenzimidazol-2-yl)-22-methylidene-3-azapentacyclo[11.11.0.02,10.04,9.015,23]tetracosa-1(24),2(10),4,6,8,11,13,15(23),18,20-decaene (CID 122467151) is (18Z,20Z)-16,16-dimethyl-3-(1-methylbenzimidazol-2-yl)-22-methylidene-3-azapentacyclo[11.11.0.02,10.04,9.015,23]tetracosa-1(24),2(10),4,6,8,11,13,15(23),18,20-decaene.
What is the SMILES notation for (18Z,20Z)-16,16-dimethyl-3-(1-methylbenzimidazol-2-yl)-22-methylidene-3-azapentacyclo[11.11.0.02,10.04,9.015,23]tetracosa-1(24),2(10),4,6,8,11,13,15(23),18,20-decaene?
The canonical SMILES for (18Z,20Z)-16,16-dimethyl-3-(1-methylbenzimidazol-2-yl)-22-methylidene-3-azapentacyclo[11.11.0.02,10.04,9.015,23]tetracosa-1(24),2(10),4,6,8,11,13,15(23),18,20-decaene is C=C1/C=C\C=C/CC(C)(C)c2cc3ccc4c5ccccc5n(-c5nc6ccccc6n5C)c4c3cc21.
What is the InChIKey of (18Z,20Z)-16,16-dimethyl-3-(1-methylbenzimidazol-2-yl)-22-methylidene-3-azapentacyclo[11.11.0.02,10.04,9.015,23]tetracosa-1(24),2(10),4,6,8,11,13,15(23),18,20-decaene?
The InChIKey is BWUZOUJEXGXIIG-CBIKUMSCSA-N. The full InChI is InChI=1S/C34H29N3/c1-22-12-6-5-11-19-34(2,3)28-20-23-17-18-25-24-13-7-9-15-30(24)37(32(25)27(23)21-26(22)28)33-35-29-14-8-10-16-31(29)36(33)4/h5-18,20-21H,1,19H2,2-4H3/b11-5-,12-6-.
What are the key properties of (18Z,20Z)-16,16-dimethyl-3-(1-methylbenzimidazol-2-yl)-22-methylidene-3-azapentacyclo[11.11.0.02,10.04,9.015,23]tetracosa-1(24),2(10),4,6,8,11,13,15(23),18,20-decaene?
(18Z,20Z)-16,16-dimethyl-3-(1-methylbenzimidazol-2-yl)-22-methylidene-3-azapentacyclo[11.11.0.02,10.04,9.015,23]tetracosa-1(24),2(10),4,6,8,11,13,15(23),18,20-decaene has a molecular weight of 479.63 g/mol, XLogP of 8.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (18Z,20Z)-16,16-dimethyl-3-(1-methylbenzimidazol-2-yl)-22-methylidene-3-azapentacyclo[11.11.0.02,10.04,9.015,23]tetracosa-1(24),2(10),4,6,8,11,13,15(23),18,20-decaene is sourced from PubChem (CID 122467151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).