(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

C28H25N — CID 122491668

IUPAC(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
SMILESC=C1/C=C\C=C/CC(C)(C)c2cc3c(cc21)c1ccccc1n3-c1ccccc1
InChIInChI=1S/C28H25N/c1-20-12-6-5-11-17-28(2,3)25-19-27-24(18-23(20)25)22-15-9-10-16-26(22)29(27)21-13-7-4-8-14-21/h4-16,18-19H,1,17H2,2-3H3/b11-5-,12-6-
InChIKeySNBVJTZZZQNARP-CBIKUMSCSA-N
MW375.52 g/mol
LogP7.59
Rot. Bonds1

About (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

(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 (PubChem CID 122491668) has the molecular formula C28H25N and a molecular weight of 375.52 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID122491668
Molecular FormulaC28H25N
Molecular Weight375.52 g/mol
Exact Mass375.20
IUPAC Name(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
SMILESC=C1/C=C\C=C/CC(C)(C)c2cc3c(cc21)c1ccccc1n3-c1ccccc1
InChIInChI=1S/C28H25N/c1-20-12-6-5-11-17-28(2,3)25-19-27-24(18-23(20)25)22-15-9-10-16-26(22)29(27)21-13-7-4-8-14-21/h4-16,18-19H,1,17H2,2-3H3/b11-5-,12-6-
InChIKeySNBVJTZZZQNARP-CBIKUMSCSA-N
XLogP7.59
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (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 with MolForge

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Related Compounds

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)-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
(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
15-[4-(11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492388
(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
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
15,15-dimethyl-11,19-diphenyl-11,19-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,26]octacosa-1(16),2(14),3,5,7,9,12,17,20(26),21,24,27-dodecaene
CID 146246041
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
11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 90337261
10-bromo-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 122470341

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=C1/C=C\C=C/CC(C)(C)c2cc3c(cc21)c1ccccc1n3-c1ccccc1.
What is the InChIKey of (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?
The InChIKey is SNBVJTZZZQNARP-CBIKUMSCSA-N. The full InChI is InChI=1S/C28H25N/c1-20-12-6-5-11-17-28(2,3)25-19-27-24(18-23(20)25)22-15-9-10-16-26(22)29(27)21-13-7-4-8-14-21/h4-16,18-19H,1,17H2,2-3H3/b11-5-,12-6-.
What are the key properties of (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?
(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 has a molecular weight of 375.52 g/mol, XLogP of 7.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 122491668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).