3-phenyl-24-(4-phenylpyrimidin-2-yl)-3,18,21,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene

C36H22N6 — CID 122525277

IUPAC3-phenyl-24-(4-phenylpyrimidin-2-yl)-3,18,21,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
SMILESc1ccc(-c2ccnc(-n3c4c(ccc5nccnc54)c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1
InChIInChI=1S/C36H22N6/c1-3-9-23(10-4-1)29-19-20-39-36(40-29)42-33-27(17-18-30-32(33)38-22-21-37-30)28-16-15-26-25-13-7-8-14-31(25)41(34(26)35(28)42)24-11-5-2-6-12-24/h1-22H
InChIKeyUUVQHQMZMRXXAH-UHFFFAOYSA-N
MW538.61 g/mol
LogP8.28
Rot. Bonds3

About 3-phenyl-24-(4-phenylpyrimidin-2-yl)-3,18,21,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene

3-phenyl-24-(4-phenylpyrimidin-2-yl)-3,18,21,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene (PubChem CID 122525277) has the molecular formula C36H22N6 and a molecular weight of 538.61 g/mol. Its IUPAC name is 3-phenyl-24-(4-phenylpyrimidin-2-yl)-3,18,21,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene.

Molecular Properties

Compound Name3-phenyl-24-(4-phenylpyrimidin-2-yl)-3,18,21,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
PubChem CID122525277
Molecular FormulaC36H22N6
Molecular Weight538.61 g/mol
Exact Mass538.19
IUPAC Name3-phenyl-24-(4-phenylpyrimidin-2-yl)-3,18,21,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
SMILESc1ccc(-c2ccnc(-n3c4c(ccc5nccnc54)c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1
InChIInChI=1S/C36H22N6/c1-3-9-23(10-4-1)29-19-20-39-36(40-29)42-33-27(17-18-30-32(33)38-22-21-37-30)28-16-15-26-25-13-7-8-14-31(25)41(34(26)35(28)42)24-11-5-2-6-12-24/h1-22H
InChIKeyUUVQHQMZMRXXAH-UHFFFAOYSA-N
XLogP8.28
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.61
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-phenyl-24-(4-phenylpyrimidin-2-yl)-3,18,21,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

24-(4-phenylpyrimidin-2-yl)-3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 122525282
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-4,7,12,15-tetrazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 122524274
2-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)pyrimidin-2-yl]carbazole
CID 118083964
N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]aniline;12-(4,6-diphenylpyrimidin-2-yl)-11-pyrimidin-2-ylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-11-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole;11-phenyl-12-(4-phenylpyrimidin-2-yl)indolo[2,3-a]carbazole
CID 158641050
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,18,23-triphenyl-3,17,19,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19,23-triphenyl-3,17,19,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;24-phenyl-3-(4-phenylpyrimidin-2-yl)-3,17,20,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 158914820
12-[4-(1,10-phenanthrolin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 90324556
15-(2,6-dipyridin-2-yl-4-pyridinyl)-12-phenyl-4,7,12,15-tetrazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 122524051
11-phenyl-12-(2-phenylquinolin-4-yl)indolo[2,3-a]carbazole
CID 118501924
2,4,5-triphenyl-8-[9-[4-(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]pyrimido[5,4-b]indole
CID 138617824
12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 118501935
12-[4,6-bis(6-phenyl-3-pyridinyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 58142345
3-(9-phenylcarbazol-2-yl)-9-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 118028979

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-24-(4-phenylpyrimidin-2-yl)-3,18,21,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?
The IUPAC name of 3-phenyl-24-(4-phenylpyrimidin-2-yl)-3,18,21,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene (CID 122525277) is 3-phenyl-24-(4-phenylpyrimidin-2-yl)-3,18,21,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene.
What is the SMILES notation for 3-phenyl-24-(4-phenylpyrimidin-2-yl)-3,18,21,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?
The canonical SMILES for 3-phenyl-24-(4-phenylpyrimidin-2-yl)-3,18,21,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene is c1ccc(-c2ccnc(-n3c4c(ccc5nccnc54)c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.
What is the InChIKey of 3-phenyl-24-(4-phenylpyrimidin-2-yl)-3,18,21,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?
The InChIKey is UUVQHQMZMRXXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N6/c1-3-9-23(10-4-1)29-19-20-39-36(40-29)42-33-27(17-18-30-32(33)38-22-21-37-30)28-16-15-26-25-13-7-8-14-31(25)41(34(26)35(28)42)24-11-5-2-6-12-24/h1-22H.
What are the key properties of 3-phenyl-24-(4-phenylpyrimidin-2-yl)-3,18,21,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?
3-phenyl-24-(4-phenylpyrimidin-2-yl)-3,18,21,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene has a molecular weight of 538.61 g/mol, XLogP of 8.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-24-(4-phenylpyrimidin-2-yl)-3,18,21,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene is sourced from PubChem (CID 122525277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).