9-phenyl-18-(5-phenylnaphthalen-1-yl)-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

C44H28N2 — CID 170180072

IUPAC9-phenyl-18-(5-phenylnaphthalen-1-yl)-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
SMILESc1ccc(-c2cccc3c(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6c6ccccc6c54)cccc23)cc1
InChIInChI=1S/C44H28N2/c1-3-15-29(16-4-1)31-23-13-25-33-32(31)24-14-28-38(33)46-40-27-12-10-22-37(40)42-41-36-21-9-11-26-39(36)45(30-17-5-2-6-18-30)43(41)34-19-7-8-20-35(34)44(42)46/h1-28H
InChIKeyWIVUAMNYAXETBP-UHFFFAOYSA-N
MW584.72 g/mol
LogP11.85
Rot. Bonds3

About 9-phenyl-18-(5-phenylnaphthalen-1-yl)-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-phenyl-18-(5-phenylnaphthalen-1-yl)-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 170180072) has the molecular formula C44H28N2 and a molecular weight of 584.72 g/mol. Its IUPAC name is 9-phenyl-18-(5-phenylnaphthalen-1-yl)-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-phenyl-18-(5-phenylnaphthalen-1-yl)-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 CID170180072
Molecular FormulaC44H28N2
Molecular Weight584.72 g/mol
Exact Mass584.23
IUPAC Name9-phenyl-18-(5-phenylnaphthalen-1-yl)-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
SMILESc1ccc(-c2cccc3c(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6c6ccccc6c54)cccc23)cc1
InChIInChI=1S/C44H28N2/c1-3-15-29(16-4-1)31-23-13-25-33-32(31)24-14-28-38(33)46-40-27-12-10-22-37(40)42-41-36-21-9-11-26-39(36)45(30-17-5-2-6-18-30)43(41)34-19-7-8-20-35(34)44(42)46/h1-28H
InChIKeyWIVUAMNYAXETBP-UHFFFAOYSA-N
XLogP11.85
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.72
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-phenyl-18-(5-phenylnaphthalen-1-yl)-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-(2-phenylphenyl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene
CID 129299039
5-phenyl-12-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole
CID 154590271
4-phenyl-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole
CID 166037163
1-(4-carbazol-9-ylcarbazol-9-yl)-9-(2,6-diphenylphenyl)carbazole
CID 170374759
3,9-diphenyl-4-(9-phenylcarbazol-1-yl)carbazole
CID 90321729
4-phenyl-18-(4-phenylnaphthalen-1-yl)-15-thia-4,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
CID 163643729
12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole
CID 130417453
1-carbazol-9-yl-9-[9-(9-phenylcarbazol-1-yl)carbazol-4-yl]carbazole
CID 177094947
1-(4-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-1-yl)carbazole
CID 177094929
12-phenyl-5-[5-phenyl-2-[9-(2-phenylphenyl)carbazol-4-yl]phenyl]indolo[3,2-c]carbazole
CID 176831437
5-[2-[1-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 146226943
5-phenyl-12-(6-phenyldibenzothiophen-4-yl)indolo[3,2-c]carbazole
CID 126656177

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-18-(5-phenylnaphthalen-1-yl)-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-phenyl-18-(5-phenylnaphthalen-1-yl)-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 170180072) is 9-phenyl-18-(5-phenylnaphthalen-1-yl)-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-phenyl-18-(5-phenylnaphthalen-1-yl)-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-phenyl-18-(5-phenylnaphthalen-1-yl)-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 c1ccc(-c2cccc3c(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6c6ccccc6c54)cccc23)cc1.
What is the InChIKey of 9-phenyl-18-(5-phenylnaphthalen-1-yl)-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 WIVUAMNYAXETBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2/c1-3-15-29(16-4-1)31-23-13-25-33-32(31)24-14-28-38(33)46-40-27-12-10-22-37(40)42-41-36-21-9-11-26-39(36)45(30-17-5-2-6-18-30)43(41)34-19-7-8-20-35(34)44(42)46/h1-28H.
What are the key properties of 9-phenyl-18-(5-phenylnaphthalen-1-yl)-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-phenyl-18-(5-phenylnaphthalen-1-yl)-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 584.72 g/mol, XLogP of 11.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-18-(5-phenylnaphthalen-1-yl)-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 170180072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).