9-methyl-18-[4-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene

C41H28N2 — CID 126501137

IUPAC9-methyl-18-[4-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
SMILESCn1c2ccccc2c2c3c4ccccc4n(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c3c3ccccc3c21
InChIInChI=1S/C41H28N2/c1-42-36-17-9-7-15-34(36)38-39-35-16-8-10-18-37(35)43(41(39)33-14-6-5-13-32(33)40(38)42)31-25-23-30(24-26-31)29-21-19-28(20-22-29)27-11-3-2-4-12-27/h2-26H,1H3
InChIKeyOSIPGSDJSJVOCQ-UHFFFAOYSA-N
MW548.69 g/mol
LogP10.92
Rot. Bonds3

About 9-methyl-18-[4-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene

9-methyl-18-[4-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene (PubChem CID 126501137) has the molecular formula C41H28N2 and a molecular weight of 548.69 g/mol. Its IUPAC name is 9-methyl-18-[4-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene.

Molecular Properties

Compound Name9-methyl-18-[4-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
PubChem CID126501137
Molecular FormulaC41H28N2
Molecular Weight548.69 g/mol
Exact Mass548.23
IUPAC Name9-methyl-18-[4-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
SMILESCn1c2ccccc2c2c3c4ccccc4n(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c3c3ccccc3c21
InChIInChI=1S/C41H28N2/c1-42-36-17-9-7-15-34(36)38-39-35-16-8-10-18-37(35)43(41(39)33-14-6-5-13-32(33)40(38)42)31-25-23-30(24-26-31)29-21-19-28(20-22-29)27-11-3-2-4-12-27/h2-26H,1H3
InChIKeyOSIPGSDJSJVOCQ-UHFFFAOYSA-N
XLogP10.92
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.69
LogP ≤ 510.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-methyl-18-[4-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene with MolForge

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Related Compounds

9-methyl-18-[3-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 126501138
18-phenyl-9,21-bis(4-phenylphenyl)-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 138729733
9,18-diphenyl-21-(4-phenylphenyl)-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 138729666
6,12-dimethyl-5-(4-phenylphenyl)-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 134509787
19-phenyl-9-[4-[4-(4-phenylphenyl)phenyl]phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 140913695
12-methyl-5,10-diphenylindolo[3,2-c]carbazole
CID 176615446
12-(3,5-diphenylphenyl)-5-methylindolo[3,2-c]carbazole;5-methyl-12-phenylindolo[3,2-c]carbazole;5-methyl-12-(4-phenylphenyl)indolo[3,2-c]carbazole;11-methyl-12-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole;5-methyl-12-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 158529566
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 134252991
12-(3,5-diphenylphenyl)-5-methylindolo[3,2-c]carbazole
CID 149056989
9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;ethane
CID 177063537
9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;5,11-bis(4-phenylphenyl)indolo[3,2-b]carbazole
CID 160608465

Frequently Asked Questions

What is the IUPAC name of 9-methyl-18-[4-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?
The IUPAC name of 9-methyl-18-[4-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene (CID 126501137) is 9-methyl-18-[4-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene.
What is the SMILES notation for 9-methyl-18-[4-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?
The canonical SMILES for 9-methyl-18-[4-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene is Cn1c2ccccc2c2c3c4ccccc4n(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c3c3ccccc3c21.
What is the InChIKey of 9-methyl-18-[4-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?
The InChIKey is OSIPGSDJSJVOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N2/c1-42-36-17-9-7-15-34(36)38-39-35-16-8-10-18-37(35)43(41(39)33-14-6-5-13-32(33)40(38)42)31-25-23-30(24-26-31)29-21-19-28(20-22-29)27-11-3-2-4-12-27/h2-26H,1H3.
What are the key properties of 9-methyl-18-[4-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?
9-methyl-18-[4-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene has a molecular weight of 548.69 g/mol, XLogP of 10.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-18-[4-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene is sourced from PubChem (CID 126501137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).