9,21-dimethyl-6-N,18-N-dipyridin-2-yl-6-N,18-N-dipyridin-4-yl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine

C44H32N8 — CID 59181864

IUPAC9,21-dimethyl-6-N,18-N-dipyridin-2-yl-6-N,18-N-dipyridin-4-yl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
SMILESCn1c2cc(N(c3ccncc3)c3ccccn3)ccc2c2c3ccc4c(c3ccc21)c1ccc(N(c2ccncc2)c2ccccn2)cc1n4C
InChIInChI=1S/C44H32N8/c1-49-37-15-13-34-33(43(37)35-11-9-31(27-39(35)49)51(29-17-23-45-24-18-29)41-7-3-5-21-47-41)14-16-38-44(34)36-12-10-32(28-40(36)50(38)2)52(30-19-25-46-26-20-30)42-8-4-6-22-48-42/h3-28H,1-2H3
InChIKeyDELSEQHSKKNKLM-UHFFFAOYSA-N
MW672.80 g/mol
LogP10.65
Rot. Bonds6

About 9,21-dimethyl-6-N,18-N-dipyridin-2-yl-6-N,18-N-dipyridin-4-yl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine

9,21-dimethyl-6-N,18-N-dipyridin-2-yl-6-N,18-N-dipyridin-4-yl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine (PubChem CID 59181864) has the molecular formula C44H32N8 and a molecular weight of 672.80 g/mol. Its IUPAC name is 9,21-dimethyl-6-N,18-N-dipyridin-2-yl-6-N,18-N-dipyridin-4-yl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine.

Molecular Properties

Compound Name9,21-dimethyl-6-N,18-N-dipyridin-2-yl-6-N,18-N-dipyridin-4-yl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
PubChem CID59181864
Molecular FormulaC44H32N8
Molecular Weight672.80 g/mol
Exact Mass672.27
IUPAC Name9,21-dimethyl-6-N,18-N-dipyridin-2-yl-6-N,18-N-dipyridin-4-yl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
SMILESCn1c2cc(N(c3ccncc3)c3ccccn3)ccc2c2c3ccc4c(c3ccc21)c1ccc(N(c2ccncc2)c2ccccn2)cc1n4C
InChIInChI=1S/C44H32N8/c1-49-37-15-13-34-33(43(37)35-11-9-31(27-39(35)49)51(29-17-23-45-24-18-29)41-7-3-5-21-47-41)14-16-38-44(34)36-12-10-32(28-40(36)50(38)2)52(30-19-25-46-26-20-30)42-8-4-6-22-48-42/h3-28H,1-2H3
InChIKeyDELSEQHSKKNKLM-UHFFFAOYSA-N
XLogP10.65
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.80
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9,21-dimethyl-6-N,18-N-dipyridin-2-yl-6-N,18-N-dipyridin-4-yl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine with MolForge

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Related Compounds

9-methyl-2-N,2-N,7-N,7-N-tetraphenylcarbazole-2,7-diamine
CID 121465213
6-[dimethyl(pyridin-2-yl)silyl]-N-phenyl-N-pyridin-2-yl-9-pyridin-4-ylcarbazol-3-amine
CID 153433307
N-[4-[5-[4-(N,4-dipyridin-3-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-pyridin-3-ylphenyl)pyridin-3-amine;N-(3-phenylphenyl)-N-[4-[5-[4-(3-phenyl-N-pyridin-3-ylanilino)phenyl]furan-2-yl]phenyl]pyridin-3-amine;N-(3-phenylphenyl)-N-[4-[5-[4-(3-phenyl-N-pyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]pyridin-4-amine;N-(4-pyridin-3-ylphenyl)-N-[4-[5-[4-(N-pyridin-2-yl-4-pyridin-3-ylanilino)phenyl]furan-2-yl]phenyl]pyridin-2-amine;N-(4-pyridin-3-ylphenyl)-N-[4-[5-[4-(4-pyridin-3-yl-N-pyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]pyridin-4-amine
CID 158328940
N,N-bis(4-tert-butylphenyl)pyridin-2-amine
CID 170994719
6-N,21-N-bis(4-tert-butylphenyl)-3,24-dimethyl-6-N,21-N-diphenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine
CID 59181739
9,10-ditert-butyl-7-N,7-N-diphenyl-2-N,2-N-dipyridin-2-ylanthracene-2,7-diamine
CID 59194887
6-N,6-N,21-N,21-N-tetrakis(3,5-dimethylphenyl)-3,24-dimethyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine
CID 59182405
2-N,2-N,7-N,7-N-tetrapyridin-2-ylnaphthalene-2,7-diamine
CID 102277389
9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetrapyridin-2-ylanthracene-2,6-diamine;9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetrapyridin-4-ylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dipyridin-2-yl-2-N,6-N-dipyridin-3-ylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dipyridin-2-yl-2-N,6-N-dipyridin-4-ylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dipyridin-3-yl-2-N,6-N-dipyridin-4-ylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,2-N,6-N,6-N-tetrapyridin-3-ylanthracene-2,6-diamine
CID 158836203
N-phenyl-N-pyridin-2-ylpyrido[1,2-a]benzimidazol-8-amine
CID 132524899
4-(7-methylbenzo[g]carbazol-9-yl)-N,N-diphenylaniline
CID 126631165
N-phenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]pyridin-2-amine
CID 88554999

Frequently Asked Questions

What is the IUPAC name of 9,21-dimethyl-6-N,18-N-dipyridin-2-yl-6-N,18-N-dipyridin-4-yl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine?
The IUPAC name of 9,21-dimethyl-6-N,18-N-dipyridin-2-yl-6-N,18-N-dipyridin-4-yl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine (CID 59181864) is 9,21-dimethyl-6-N,18-N-dipyridin-2-yl-6-N,18-N-dipyridin-4-yl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine.
What is the SMILES notation for 9,21-dimethyl-6-N,18-N-dipyridin-2-yl-6-N,18-N-dipyridin-4-yl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine?
The canonical SMILES for 9,21-dimethyl-6-N,18-N-dipyridin-2-yl-6-N,18-N-dipyridin-4-yl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine is Cn1c2cc(N(c3ccncc3)c3ccccn3)ccc2c2c3ccc4c(c3ccc21)c1ccc(N(c2ccncc2)c2ccccn2)cc1n4C.
What is the InChIKey of 9,21-dimethyl-6-N,18-N-dipyridin-2-yl-6-N,18-N-dipyridin-4-yl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine?
The InChIKey is DELSEQHSKKNKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N8/c1-49-37-15-13-34-33(43(37)35-11-9-31(27-39(35)49)51(29-17-23-45-24-18-29)41-7-3-5-21-47-41)14-16-38-44(34)36-12-10-32(28-40(36)50(38)2)52(30-19-25-46-26-20-30)42-8-4-6-22-48-42/h3-28H,1-2H3.
What are the key properties of 9,21-dimethyl-6-N,18-N-dipyridin-2-yl-6-N,18-N-dipyridin-4-yl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine?
9,21-dimethyl-6-N,18-N-dipyridin-2-yl-6-N,18-N-dipyridin-4-yl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine has a molecular weight of 672.80 g/mol, XLogP of 10.65, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9,21-dimethyl-6-N,18-N-dipyridin-2-yl-6-N,18-N-dipyridin-4-yl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine is sourced from PubChem (CID 59181864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).