(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

C39H32N2 — CID 122467155

IUPAC(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
SMILESC=C1/C=C\C=C/CC(C)(C)c2ccc3cc4c5ccccc5n(-c5cccc6c7ccccc7n(C)c56)c4cc3c21
InChIInChI=1S/C39H32N2/c1-25-13-6-5-11-22-39(2,3)32-21-20-26-23-31-28-15-8-10-18-34(28)41(36(31)24-30(26)37(25)32)35-19-12-16-29-27-14-7-9-17-33(27)40(4)38(29)35/h5-21,23-24H,1,22H2,2-4H3/b11-5-,13-6-
InChIKeyLLAQZPXKQNQNOC-WQWBYLBGSA-N
MW528.70 g/mol
LogP10.39
Rot. Bonds1

About (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

(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 (PubChem CID 122467155) has the molecular formula C39H32N2 and a molecular weight of 528.70 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID122467155
Molecular FormulaC39H32N2
Molecular Weight528.70 g/mol
Exact Mass528.26
IUPAC Name(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
SMILESC=C1/C=C\C=C/CC(C)(C)c2ccc3cc4c5ccccc5n(-c5cccc6c7ccccc7n(C)c56)c4cc3c21
InChIInChI=1S/C39H32N2/c1-25-13-6-5-11-22-39(2,3)32-21-20-26-23-31-28-15-8-10-18-34(28)41(36(31)24-30(26)37(25)32)35-19-12-16-29-27-14-7-9-17-33(27)40(4)38(29)35/h5-21,23-24H,1,22H2,2-4H3/b11-5-,13-6-
InChIKeyLLAQZPXKQNQNOC-WQWBYLBGSA-N
XLogP10.39
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.70
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (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 with MolForge

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Related Compounds

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
(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
(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
3-[9-[4-[(6Z,8Z)-11,11-dimethyl-5-methylidene-10H-benzo[9]annulen-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118198571
(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
(6Z,8Z)-N-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]-11,11-dimethyl-5-methylidene-N-(4-phenylphenyl)-10H-benzo[9]annulen-2-amine
CID 118442363
(13Z,15Z)-21-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-18,18-dimethyl-12-methylidene-9-oxa-21-azahexacyclo[18.7.0.02,10.03,8.011,19.022,27]heptacosa-1,3,5,7,10,13,15,19,22,24,26-undecaene
CID 118641125
3,3-dimethyl-16-(9-phenylcarbazol-1-yl)-16-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-undecaene
CID 126718273
3-(9,9-dimethylfluoren-4-yl)-22-phenyl-3,22-diazahexacyclo[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 122465550
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
1,8-di(carbazol-9-yl)-9-methylcarbazole;2,7-di(carbazol-9-yl)-9-methylcarbazole;3,6-di(carbazol-9-yl)-9-methylcarbazole
CID 159435151
22-(3H-indol-7-yl)-3,3-dimethyl-22-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 122464317

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=C1/C=C\C=C/CC(C)(C)c2ccc3cc4c5ccccc5n(-c5cccc6c7ccccc7n(C)c56)c4cc3c21.
What is the InChIKey of (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?
The InChIKey is LLAQZPXKQNQNOC-WQWBYLBGSA-N. The full InChI is InChI=1S/C39H32N2/c1-25-13-6-5-11-22-39(2,3)32-21-20-26-23-31-28-15-8-10-18-34(28)41(36(31)24-30(26)37(25)32)35-19-12-16-29-27-14-7-9-17-33(27)40(4)38(29)35/h5-21,23-24H,1,22H2,2-4H3/b11-5-,13-6-.
What are the key properties of (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?
(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 has a molecular weight of 528.70 g/mol, XLogP of 10.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 122467155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).