11,11,19,19-tetramethyl-15,26-diphenyl-15,26-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene

C42H34N2 — CID 66805110

IUPAC11,11,19,19-tetramethyl-15,26-diphenyl-15,26-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene
SMILESCC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccccc4)c3cc21)C(C)(C)c1ccccc1N5c1ccccc1
InChIInChI=1S/C42H34N2/c1-41(2)33-20-12-11-19-29(33)30-23-31-32-24-40-36(26-39(32)44(38(31)25-35(30)41)28-17-9-6-10-18-28)42(3,4)34-21-13-14-22-37(34)43(40)27-15-7-5-8-16-27/h5-26H,1-4H3
InChIKeyQGNZPZKHZMCACC-UHFFFAOYSA-N
MW566.75 g/mol
LogP11.20
Rot. Bonds2

About 11,11,19,19-tetramethyl-15,26-diphenyl-15,26-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene

11,11,19,19-tetramethyl-15,26-diphenyl-15,26-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene (PubChem CID 66805110) has the molecular formula C42H34N2 and a molecular weight of 566.75 g/mol. Its IUPAC name is 11,11,19,19-tetramethyl-15,26-diphenyl-15,26-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene.

Molecular Properties

Compound Name11,11,19,19-tetramethyl-15,26-diphenyl-15,26-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene
PubChem CID66805110
Molecular FormulaC42H34N2
Molecular Weight566.75 g/mol
Exact Mass566.27
IUPAC Name11,11,19,19-tetramethyl-15,26-diphenyl-15,26-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene
SMILESCC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccccc4)c3cc21)C(C)(C)c1ccccc1N5c1ccccc1
InChIInChI=1S/C42H34N2/c1-41(2)33-20-12-11-19-29(33)30-23-31-32-24-40-36(26-39(32)44(38(31)25-35(30)41)28-17-9-6-10-18-28)42(3,4)34-21-13-14-22-37(34)43(40)27-15-7-5-8-16-27/h5-26H,1-4H3
InChIKeyQGNZPZKHZMCACC-UHFFFAOYSA-N
XLogP11.20
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.75
LogP ≤ 511.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 11,11,19,19-tetramethyl-15,26-diphenyl-15,26-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene with MolForge

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Related Compounds

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CID 130450658
18-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10,21,21-tetramethyl-14-phenyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 118227857
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
2-(9,9-dimethylacridin-10-yl)-11,11-dimethyl-5-(4-methylphenyl)indeno[1,2-b]carbazole
CID 58501385
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
CID 88946984
CID 88946984
11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
5,5,16,17,28,28-hexamethyl-12,21-diphenyl-12,21-diazaheptacyclo[16.12.0.02,15.04,13.06,11.020,29.022,27]triaconta-1(30),2,4(13),6,8,10,14,16,18,20(29),22,24,26-tridecaene
CID 58489835
24-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene
CID 140926916
17-carbazol-9-yl-30,30-dimethyl-23-phenyl-23-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene
CID 134428385
7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227

Frequently Asked Questions

What is the IUPAC name of 11,11,19,19-tetramethyl-15,26-diphenyl-15,26-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene?
The IUPAC name of 11,11,19,19-tetramethyl-15,26-diphenyl-15,26-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene (CID 66805110) is 11,11,19,19-tetramethyl-15,26-diphenyl-15,26-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene.
What is the SMILES notation for 11,11,19,19-tetramethyl-15,26-diphenyl-15,26-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene?
The canonical SMILES for 11,11,19,19-tetramethyl-15,26-diphenyl-15,26-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene is CC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccccc4)c3cc21)C(C)(C)c1ccccc1N5c1ccccc1.
What is the InChIKey of 11,11,19,19-tetramethyl-15,26-diphenyl-15,26-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene?
The InChIKey is QGNZPZKHZMCACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34N2/c1-41(2)33-20-12-11-19-29(33)30-23-31-32-24-40-36(26-39(32)44(38(31)25-35(30)41)28-17-9-6-10-18-28)42(3,4)34-21-13-14-22-37(34)43(40)27-15-7-5-8-16-27/h5-26H,1-4H3.
What are the key properties of 11,11,19,19-tetramethyl-15,26-diphenyl-15,26-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene?
11,11,19,19-tetramethyl-15,26-diphenyl-15,26-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene has a molecular weight of 566.75 g/mol, XLogP of 11.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11,19,19-tetramethyl-15,26-diphenyl-15,26-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene is sourced from PubChem (CID 66805110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).