3-N,3-N,10-N,10-N-tetrapyridin-3-ylperylene-3,10-diamine

C40H26N6 — CID 20710068

IUPAC3-N,3-N,10-N,10-N-tetrapyridin-3-ylperylene-3,10-diamine
SMILESc1cncc(N(c2cccnc2)c2ccc3c4ccc(N(c5cccnc5)c5cccnc5)c5cccc(c6cccc2c63)c54)c1
InChIInChI=1S/C40H26N6/c1-11-31-32-12-2-14-36-38(46(29-9-5-21-43-25-29)30-10-6-22-44-26-30)18-16-34(40(32)36)33-15-17-37(35(13-1)39(31)33)45(27-7-3-19-41-23-27)28-8-4-20-42-24-28/h1-26H
InChIKeyCCJBOAXWAGVREE-UHFFFAOYSA-N
MW590.69 g/mol
LogP10.26
Rot. Bonds6

About 3-N,3-N,10-N,10-N-tetrapyridin-3-ylperylene-3,10-diamine

3-N,3-N,10-N,10-N-tetrapyridin-3-ylperylene-3,10-diamine (PubChem CID 20710068) has the molecular formula C40H26N6 and a molecular weight of 590.69 g/mol. Its IUPAC name is 3-N,3-N,10-N,10-N-tetrapyridin-3-ylperylene-3,10-diamine.

Molecular Properties

Compound Name3-N,3-N,10-N,10-N-tetrapyridin-3-ylperylene-3,10-diamine
PubChem CID20710068
Molecular FormulaC40H26N6
Molecular Weight590.69 g/mol
Exact Mass590.22
IUPAC Name3-N,3-N,10-N,10-N-tetrapyridin-3-ylperylene-3,10-diamine
SMILESc1cncc(N(c2cccnc2)c2ccc3c4ccc(N(c5cccnc5)c5cccnc5)c5cccc(c6cccc2c63)c54)c1
InChIInChI=1S/C40H26N6/c1-11-31-32-12-2-14-36-38(46(29-9-5-21-43-25-29)30-10-6-22-44-26-30)18-16-34(40(32)36)33-15-17-37(35(13-1)39(31)33)45(27-7-3-19-41-23-27)28-8-4-20-42-24-28/h1-26H
InChIKeyCCJBOAXWAGVREE-UHFFFAOYSA-N
XLogP10.26
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.69
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-N,3-N,10-N,10-N-tetrakis(4-methylphenyl)perylene-3,10-diamine
CID 20710089
N,N-diphenyl-5-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(22),2(7),3,5,8,10,12,14,16,18,20-undecaen-19-amine
CID 156512724
1-N,8-N-bis(4-cyclohexylphenyl)-4,5-dimethyl-1-N,8-N-dipyridin-3-ylpyrene-1,8-diamine
CID 58383842
2-[6-(dipyridin-3-ylamino)pyren-1-yl]ethene-1,1,2-tricarbonitrile
CID 155416180
9-N,10-N-bis(4-phenylphenyl)-9-N,10-N-dipyridin-3-ylanthracene-9,10-diamine
CID 123403469
N,N-diphenyloctacyclo[19.7.1.17,11.02,20.04,18.06,16.025,29.015,30]triaconta-1(28),2(20),3,5,7(30),8,10,12,14,16,18,21,23,25(29),26-pentadecaen-10-amine
CID 23534519
3-N,3-N,9-N,9-N-tetrakis(4-methoxyphenyl)perylene-3,9-diamine
CID 20710079
1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-dipyridin-2-ylpyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-dipyridin-3-ylpyrene-1,6-diamine
CID 158424181
N-[3,5-di(fluoranthen-3-yl)phenyl]-N-naphthalen-1-ylpyridin-3-amine
CID 118312599
3-N,9-N-bis[4-(N-phenylanilino)phenyl]-3-N,9-N-bis(4-trimethylgermylphenyl)perylene-3,9-diamine;3-N,9-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]-3-N,9-N-bis(4-trimethylgermylphenyl)perylene-3,9-diamine
CID 162068831
8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-3,15-diazaheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaene-8,20-diamine
CID 143438485
N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-3-amine
CID 59308571

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,10-N,10-N-tetrapyridin-3-ylperylene-3,10-diamine?
The IUPAC name of 3-N,3-N,10-N,10-N-tetrapyridin-3-ylperylene-3,10-diamine (CID 20710068) is 3-N,3-N,10-N,10-N-tetrapyridin-3-ylperylene-3,10-diamine.
What is the SMILES notation for 3-N,3-N,10-N,10-N-tetrapyridin-3-ylperylene-3,10-diamine?
The canonical SMILES for 3-N,3-N,10-N,10-N-tetrapyridin-3-ylperylene-3,10-diamine is c1cncc(N(c2cccnc2)c2ccc3c4ccc(N(c5cccnc5)c5cccnc5)c5cccc(c6cccc2c63)c54)c1.
What is the InChIKey of 3-N,3-N,10-N,10-N-tetrapyridin-3-ylperylene-3,10-diamine?
The InChIKey is CCJBOAXWAGVREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N6/c1-11-31-32-12-2-14-36-38(46(29-9-5-21-43-25-29)30-10-6-22-44-26-30)18-16-34(40(32)36)33-15-17-37(35(13-1)39(31)33)45(27-7-3-19-41-23-27)28-8-4-20-42-24-28/h1-26H.
What are the key properties of 3-N,3-N,10-N,10-N-tetrapyridin-3-ylperylene-3,10-diamine?
3-N,3-N,10-N,10-N-tetrapyridin-3-ylperylene-3,10-diamine has a molecular weight of 590.69 g/mol, XLogP of 10.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,10-N,10-N-tetrapyridin-3-ylperylene-3,10-diamine is sourced from PubChem (CID 20710068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).