5-cyclopenta-1,4-dien-1-yl-2,2,16,16-tetramethyl-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene

C35H30N2 — CID 126566268

IUPAC5-cyclopenta-1,4-dien-1-yl-2,2,16,16-tetramethyl-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene
SMILESCC1(C)c2ccc3c4ccccc4n(C4=CCC=C4)c3c2C(C)(C)c2ccc3c([nH]c4ccccc43)c21
InChIInChI=1S/C35H30N2/c1-34(2)27-20-18-25-23-14-8-10-16-29(23)37(21-11-5-6-12-21)33(25)31(27)35(3,4)26-19-17-24-22-13-7-9-15-28(22)36-32(24)30(26)34/h5,7-20,36H,6H2,1-4H3
InChIKeyXAKDBUMRLPVLGW-UHFFFAOYSA-N
MW478.64 g/mol
LogP9.19
Rot. Bonds1

About 5-cyclopenta-1,4-dien-1-yl-2,2,16,16-tetramethyl-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene

5-cyclopenta-1,4-dien-1-yl-2,2,16,16-tetramethyl-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene (PubChem CID 126566268) has the molecular formula C35H30N2 and a molecular weight of 478.64 g/mol. Its IUPAC name is 5-cyclopenta-1,4-dien-1-yl-2,2,16,16-tetramethyl-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene.

Molecular Properties

Compound Name5-cyclopenta-1,4-dien-1-yl-2,2,16,16-tetramethyl-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene
PubChem CID126566268
Molecular FormulaC35H30N2
Molecular Weight478.64 g/mol
Exact Mass478.24
IUPAC Name5-cyclopenta-1,4-dien-1-yl-2,2,16,16-tetramethyl-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene
SMILESCC1(C)c2ccc3c4ccccc4n(C4=CCC=C4)c3c2C(C)(C)c2ccc3c([nH]c4ccccc43)c21
InChIInChI=1S/C35H30N2/c1-34(2)27-20-18-25-23-14-8-10-16-29(23)37(21-11-5-6-12-21)33(25)31(27)35(3,4)26-19-17-24-22-13-7-9-15-28(22)36-32(24)30(26)34/h5,7-20,36H,6H2,1-4H3
InChIKeyXAKDBUMRLPVLGW-UHFFFAOYSA-N
XLogP9.19
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 59.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-cyclopenta-1,4-dien-1-yl-2,2,16,16-tetramethyl-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene with MolForge

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Related Compounds

16,16-dimethyl-19-(4-phenylphenyl)-2-oxa-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene
CID 126567930
16,16-dimethyl-2-phenyl-19-(4-phenylphenyl)-2,5,19-triazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene
CID 126567951
12-tert-butyl-11H-indolo[2,3-a]carbazole
CID 172511802
22,22-dimethyl-14-phenyl-3,14-diazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene
CID 90270162
12-(4-bromophenyl)-11H-indolo[2,3-a]carbazole
CID 135315039
12-[4-(3-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole
CID 165165620
12-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-11H-indolo[2,3-a]carbazole
CID 170424202
12-cyclohepta-1,3,6-trien-1-yl-12-methyl-11H-indeno[2,1-a]carbazole
CID 145377277
9-(9H-carbazol-1-yl)-1-propylcarbazole
CID 142681767
14-cyclohexa-1,5-dien-1-yl-18-ethenyl-24,24-dimethyl-3-(4-phenylphenyl)-19-[(Z)-prop-1-enyl]-3,14,17-triazahexacyclo[11.11.0.02,10.04,9.015,23.016,20]tetracosa-1(13),2(10),4,6,8,11,15(23),16(20),18,21-decaene
CID 145243548
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-19-ethenyl-14,14,24,24-tetramethyl-18-[(Z)-prop-1-enyl]-3,17-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,20]tetracosa-1(13),2(10),4,6,8,11,15(23),16(20),18,21-decaene
CID 145243656
12-[2-(2-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole
CID 165165529

Frequently Asked Questions

What is the IUPAC name of 5-cyclopenta-1,4-dien-1-yl-2,2,16,16-tetramethyl-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene?
The IUPAC name of 5-cyclopenta-1,4-dien-1-yl-2,2,16,16-tetramethyl-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene (CID 126566268) is 5-cyclopenta-1,4-dien-1-yl-2,2,16,16-tetramethyl-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene.
What is the SMILES notation for 5-cyclopenta-1,4-dien-1-yl-2,2,16,16-tetramethyl-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene?
The canonical SMILES for 5-cyclopenta-1,4-dien-1-yl-2,2,16,16-tetramethyl-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene is CC1(C)c2ccc3c4ccccc4n(C4=CCC=C4)c3c2C(C)(C)c2ccc3c([nH]c4ccccc43)c21.
What is the InChIKey of 5-cyclopenta-1,4-dien-1-yl-2,2,16,16-tetramethyl-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene?
The InChIKey is XAKDBUMRLPVLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30N2/c1-34(2)27-20-18-25-23-14-8-10-16-29(23)37(21-11-5-6-12-21)33(25)31(27)35(3,4)26-19-17-24-22-13-7-9-15-28(22)36-32(24)30(26)34/h5,7-20,36H,6H2,1-4H3.
What are the key properties of 5-cyclopenta-1,4-dien-1-yl-2,2,16,16-tetramethyl-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene?
5-cyclopenta-1,4-dien-1-yl-2,2,16,16-tetramethyl-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene has a molecular weight of 478.64 g/mol, XLogP of 9.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopenta-1,4-dien-1-yl-2,2,16,16-tetramethyl-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene is sourced from PubChem (CID 126566268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).