10,19-diphenyl-14-(5-phenyl-2-pyridinyl)-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene

C43H28N4 — CID 90267349

IUPAC10,19-diphenyl-14-(5-phenyl-2-pyridinyl)-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene
SMILESc1ccc(-c2ccc(-n3c4cc5c(cc4c4ccc6c(ccn6-c6ccccc6)c43)c3ccccc3n5-c3ccccc3)nc2)cc1
InChIInChI=1S/C43H28N4/c1-4-12-29(13-5-1)30-20-23-42(44-28-30)47-41-27-40-36(33-18-10-11-19-39(33)46(40)32-16-8-3-9-17-32)26-37(41)34-21-22-38-35(43(34)47)24-25-45(38)31-14-6-2-7-15-31/h1-28H
InChIKeyCWIBWAHPZSUOTB-UHFFFAOYSA-N
MW600.73 g/mol
LogP10.89
Rot. Bonds4

About 10,19-diphenyl-14-(5-phenyl-2-pyridinyl)-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene

10,19-diphenyl-14-(5-phenyl-2-pyridinyl)-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene (PubChem CID 90267349) has the molecular formula C43H28N4 and a molecular weight of 600.73 g/mol. Its IUPAC name is 10,19-diphenyl-14-(5-phenyl-2-pyridinyl)-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene.

Molecular Properties

Compound Name10,19-diphenyl-14-(5-phenyl-2-pyridinyl)-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene
PubChem CID90267349
Molecular FormulaC43H28N4
Molecular Weight600.73 g/mol
Exact Mass600.23
IUPAC Name10,19-diphenyl-14-(5-phenyl-2-pyridinyl)-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene
SMILESc1ccc(-c2ccc(-n3c4cc5c(cc4c4ccc6c(ccn6-c6ccccc6)c43)c3ccccc3n5-c3ccccc3)nc2)cc1
InChIInChI=1S/C43H28N4/c1-4-12-29(13-5-1)30-20-23-42(44-28-30)47-41-27-40-36(33-18-10-11-19-39(33)46(40)32-16-8-3-9-17-32)26-37(41)34-21-22-38-35(43(34)47)24-25-45(38)31-14-6-2-7-15-31/h1-28H
InChIKeyCWIBWAHPZSUOTB-UHFFFAOYSA-N
XLogP10.89
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.73
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10,19-diphenyl-14-(5-phenyl-2-pyridinyl)-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene with MolForge

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Related Compounds

N-[4-(10,19-diphenyl-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaen-14-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90267399
14-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-10,19-diphenyl-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene
CID 90267242
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-14,19-diphenyl-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene
CID 90267450
3-(9-phenylcarbazol-3-yl)-9-(5-phenyl-2-pyridinyl)carbazole
CID 118581881
N-[4-(10,18-diphenyl-10,18,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90267456
3-phenyl-10-[4-(7-phenyltriphenylen-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 118314952
14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,19-diphenyl-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene
CID 90267426
3-phenyl-10-[9-(3-phenylphenyl)carbazol-3-yl]pyrrolo[3,2-a]carbazole
CID 144815931
23-(4,6-diphenylpyrimidin-2-yl)-10,18-diphenyl-10,18,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene
CID 90267453
23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-10,18-diphenyl-10,18,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene
CID 90267315
17-phenyl-3-(4-pyridin-3-ylphenyl)-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene
CID 90223476
3,10-diphenyl-7-(5-phenylpyrazin-2-yl)pyrrolo[3,2-a]carbazole
CID 123618530

Frequently Asked Questions

What is the IUPAC name of 10,19-diphenyl-14-(5-phenyl-2-pyridinyl)-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene?
The IUPAC name of 10,19-diphenyl-14-(5-phenyl-2-pyridinyl)-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene (CID 90267349) is 10,19-diphenyl-14-(5-phenyl-2-pyridinyl)-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene.
What is the SMILES notation for 10,19-diphenyl-14-(5-phenyl-2-pyridinyl)-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene?
The canonical SMILES for 10,19-diphenyl-14-(5-phenyl-2-pyridinyl)-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene is c1ccc(-c2ccc(-n3c4cc5c(cc4c4ccc6c(ccn6-c6ccccc6)c43)c3ccccc3n5-c3ccccc3)nc2)cc1.
What is the InChIKey of 10,19-diphenyl-14-(5-phenyl-2-pyridinyl)-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene?
The InChIKey is CWIBWAHPZSUOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N4/c1-4-12-29(13-5-1)30-20-23-42(44-28-30)47-41-27-40-36(33-18-10-11-19-39(33)46(40)32-16-8-3-9-17-32)26-37(41)34-21-22-38-35(43(34)47)24-25-45(38)31-14-6-2-7-15-31/h1-28H.
What are the key properties of 10,19-diphenyl-14-(5-phenyl-2-pyridinyl)-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene?
10,19-diphenyl-14-(5-phenyl-2-pyridinyl)-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene has a molecular weight of 600.73 g/mol, XLogP of 10.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,19-diphenyl-14-(5-phenyl-2-pyridinyl)-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene is sourced from PubChem (CID 90267349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).