11,11-dimethyl-7,8,14,15-tetraphenyl-6,16-bis(4-phenylphenyl)-6,16-diazapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(12),2(10),3,5(9),7,13(17),14,18-octaene

C67H48N2 — CID 71142596

IUPAC11,11-dimethyl-7,8,14,15-tetraphenyl-6,16-bis(4-phenylphenyl)-6,16-diazapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(12),2(10),3,5(9),7,13(17),14,18-octaene
SMILESCC1(C)c2c(ccc3c2c(-c2ccccc2)c(-c2ccccc2)n3-c2ccc(-c3ccccc3)cc2)-c2ccc3c(c(-c4ccccc4)c(-c4ccccc4)n3-c3ccc(-c4ccccc4)cc3)c21
InChIInChI=1S/C67H48N2/c1-67(2)63-55(41-43-57-61(63)59(49-25-13-5-14-26-49)65(51-29-17-7-18-30-51)68(57)53-37-33-47(34-38-53)45-21-9-3-10-22-45)56-42-44-58-62(64(56)67)60(50-27-15-6-16-28-50)66(52-31-19-8-20-32-52)69(58)54-39-35-48(36-40-54)46-23-11-4-12-24-46/h3-44H,1-2H3
InChIKeyIWVWCGKWWIPBCD-UHFFFAOYSA-N
MW881.14 g/mol
LogP17.88
Rot. Bonds8

About 11,11-dimethyl-7,8,14,15-tetraphenyl-6,16-bis(4-phenylphenyl)-6,16-diazapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(12),2(10),3,5(9),7,13(17),14,18-octaene

11,11-dimethyl-7,8,14,15-tetraphenyl-6,16-bis(4-phenylphenyl)-6,16-diazapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(12),2(10),3,5(9),7,13(17),14,18-octaene (PubChem CID 71142596) has the molecular formula C67H48N2 and a molecular weight of 881.14 g/mol. Its IUPAC name is 11,11-dimethyl-7,8,14,15-tetraphenyl-6,16-bis(4-phenylphenyl)-6,16-diazapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(12),2(10),3,5(9),7,13(17),14,18-octaene.

Molecular Properties

Compound Name11,11-dimethyl-7,8,14,15-tetraphenyl-6,16-bis(4-phenylphenyl)-6,16-diazapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(12),2(10),3,5(9),7,13(17),14,18-octaene
PubChem CID71142596
Molecular FormulaC67H48N2
Molecular Weight881.14 g/mol
Exact Mass880.38
IUPAC Name11,11-dimethyl-7,8,14,15-tetraphenyl-6,16-bis(4-phenylphenyl)-6,16-diazapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(12),2(10),3,5(9),7,13(17),14,18-octaene
SMILESCC1(C)c2c(ccc3c2c(-c2ccccc2)c(-c2ccccc2)n3-c2ccc(-c3ccccc3)cc2)-c2ccc3c(c(-c4ccccc4)c(-c4ccccc4)n3-c3ccc(-c4ccccc4)cc3)c21
InChIInChI=1S/C67H48N2/c1-67(2)63-55(41-43-57-61(63)59(49-25-13-5-14-26-49)65(51-29-17-7-18-30-51)68(57)53-37-33-47(34-38-53)45-21-9-3-10-22-45)56-42-44-58-62(64(56)67)60(50-27-15-6-16-28-50)66(52-31-19-8-20-32-52)69(58)54-39-35-48(36-40-54)46-23-11-4-12-24-46/h3-44H,1-2H3
InChIKeyIWVWCGKWWIPBCD-UHFFFAOYSA-N
XLogP17.88
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.14
LogP ≤ 517.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 11,11-dimethyl-7,8,14,15-tetraphenyl-6,16-bis(4-phenylphenyl)-6,16-diazapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(12),2(10),3,5(9),7,13(17),14,18-octaene with MolForge

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Related Compounds

11,11-dimethyl-6,7,8,14,15,16-hexakis-phenyl-6,16-diazapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(12),2(10),3,5(9),7,13(17),14,18-octaene
CID 71142605
15,15-dimethyl-6-phenyl-24-(4-phenylphenyl)-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 134313392
11,11-dimethyl-5,6,16,17-tetraphenyl-7,15-bis(4-phenylphenyl)-7,15-diazapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene
CID 71142575
15,15-dimethyl-24-phenyl-11-(4-phenylphenyl)-11,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
CID 166002311
2-(9,9-dimethylfluoren-2-yl)-3-(1,2-diphenylindol-3-yl)-1-[4-(4-phenylphenyl)phenyl]indole
CID 129085606
15,15-dimethyl-11-phenyl-7-(9-phenylcarbazol-3-yl)-19-(3-phenylphenyl)-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene;15,15-dimethyl-6-(3-phenylphenyl)-24-(4-phenylphenyl)-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 158967628
4-N-[4-[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]phenyl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 66585196
3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole
CID 129085579
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(1,2,3-triphenylbenzo[e]indol-7-yl)phenyl]fluoren-2-amine
CID 134395151
N-[4-(2,3-diphenylbenzo[e]indol-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 134396685
2,12-bis(9,9-dimethylfluoren-2-yl)-6,7,8,16,17,18-hexakis-phenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene
CID 58131870
11,11-dimethyl-3,7-diphenyl-3-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene
CID 144609145

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-7,8,14,15-tetraphenyl-6,16-bis(4-phenylphenyl)-6,16-diazapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(12),2(10),3,5(9),7,13(17),14,18-octaene?
The IUPAC name of 11,11-dimethyl-7,8,14,15-tetraphenyl-6,16-bis(4-phenylphenyl)-6,16-diazapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(12),2(10),3,5(9),7,13(17),14,18-octaene (CID 71142596) is 11,11-dimethyl-7,8,14,15-tetraphenyl-6,16-bis(4-phenylphenyl)-6,16-diazapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(12),2(10),3,5(9),7,13(17),14,18-octaene.
What is the SMILES notation for 11,11-dimethyl-7,8,14,15-tetraphenyl-6,16-bis(4-phenylphenyl)-6,16-diazapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(12),2(10),3,5(9),7,13(17),14,18-octaene?
The canonical SMILES for 11,11-dimethyl-7,8,14,15-tetraphenyl-6,16-bis(4-phenylphenyl)-6,16-diazapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(12),2(10),3,5(9),7,13(17),14,18-octaene is CC1(C)c2c(ccc3c2c(-c2ccccc2)c(-c2ccccc2)n3-c2ccc(-c3ccccc3)cc2)-c2ccc3c(c(-c4ccccc4)c(-c4ccccc4)n3-c3ccc(-c4ccccc4)cc3)c21.
What is the InChIKey of 11,11-dimethyl-7,8,14,15-tetraphenyl-6,16-bis(4-phenylphenyl)-6,16-diazapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(12),2(10),3,5(9),7,13(17),14,18-octaene?
The InChIKey is IWVWCGKWWIPBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H48N2/c1-67(2)63-55(41-43-57-61(63)59(49-25-13-5-14-26-49)65(51-29-17-7-18-30-51)68(57)53-37-33-47(34-38-53)45-21-9-3-10-22-45)56-42-44-58-62(64(56)67)60(50-27-15-6-16-28-50)66(52-31-19-8-20-32-52)69(58)54-39-35-48(36-40-54)46-23-11-4-12-24-46/h3-44H,1-2H3.
What are the key properties of 11,11-dimethyl-7,8,14,15-tetraphenyl-6,16-bis(4-phenylphenyl)-6,16-diazapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(12),2(10),3,5(9),7,13(17),14,18-octaene?
11,11-dimethyl-7,8,14,15-tetraphenyl-6,16-bis(4-phenylphenyl)-6,16-diazapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(12),2(10),3,5(9),7,13(17),14,18-octaene has a molecular weight of 881.14 g/mol, XLogP of 17.88, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-7,8,14,15-tetraphenyl-6,16-bis(4-phenylphenyl)-6,16-diazapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(12),2(10),3,5(9),7,13(17),14,18-octaene is sourced from PubChem (CID 71142596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).