1,2,3,4-tetranaphthalen-2-ylchrysene-6,12-diamine

C58H38N2 — CID 87827288

IUPAC1,2,3,4-tetranaphthalen-2-ylchrysene-6,12-diamine
SMILESNc1cc2c(cc(N)c3c(-c4ccc5ccccc5c4)c(-c4ccc5ccccc5c4)c(-c4ccc5ccccc5c4)c(-c4ccc5ccccc5c4)c32)c2ccccc12
InChIInChI=1S/C58H38N2/c59-51-34-50-49(47-19-9-10-20-48(47)51)33-52(60)58-56(46-28-24-38-14-4-8-18-42(38)32-46)54(44-26-22-36-12-2-6-16-40(36)30-44)53(43-25-21-35-11-1-5-15-39(35)29-43)55(57(50)58)45-27-23-37-13-3-7-17-41(37)31-45/h1-34H,59-60H2
InChIKeyAVFZKVBRGJPCQK-UHFFFAOYSA-N
MW762.96 g/mol
LogP15.59
Rot. Bonds4

About 1,2,3,4-tetranaphthalen-2-ylchrysene-6,12-diamine

1,2,3,4-tetranaphthalen-2-ylchrysene-6,12-diamine (PubChem CID 87827288) has the molecular formula C58H38N2 and a molecular weight of 762.96 g/mol. Its IUPAC name is 1,2,3,4-tetranaphthalen-2-ylchrysene-6,12-diamine.

Molecular Properties

Compound Name1,2,3,4-tetranaphthalen-2-ylchrysene-6,12-diamine
PubChem CID87827288
Molecular FormulaC58H38N2
Molecular Weight762.96 g/mol
Exact Mass762.30
IUPAC Name1,2,3,4-tetranaphthalen-2-ylchrysene-6,12-diamine
SMILESNc1cc2c(cc(N)c3c(-c4ccc5ccccc5c4)c(-c4ccc5ccccc5c4)c(-c4ccc5ccccc5c4)c(-c4ccc5ccccc5c4)c32)c2ccccc12
InChIInChI=1S/C58H38N2/c59-51-34-50-49(47-19-9-10-20-48(47)51)33-52(60)58-56(46-28-24-38-14-4-8-18-42(38)32-46)54(44-26-22-36-12-2-6-16-40(36)30-44)53(43-25-21-35-11-1-5-15-39(35)29-43)55(57(50)58)45-27-23-37-13-3-7-17-41(37)31-45/h1-34H,59-60H2
InChIKeyAVFZKVBRGJPCQK-UHFFFAOYSA-N
XLogP15.59
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.96
LogP ≤ 515.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 123954707
2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 59583027
2,7,9,10-tetranaphthalen-2-ylphenanthrene
CID 21136771
2-(3-naphthalen-2-yl-5-triphenylen-2-ylphenyl)triphenylene
CID 123747688
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
10,21-dinaphthalen-2-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
CID 59629389
2,7-bis(9,10-dinaphthalen-2-ylanthracen-2-yl)triphenylene;2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene
CID 160662323
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-3-ylanthracene
CID 58194365
7-(9,10-diphenylphenanthren-3-yl)-12-naphthalen-2-ylbenzo[a]anthracene
CID 59629514
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetranaphthalen-2-ylchrysene-6,12-diamine?
The IUPAC name of 1,2,3,4-tetranaphthalen-2-ylchrysene-6,12-diamine (CID 87827288) is 1,2,3,4-tetranaphthalen-2-ylchrysene-6,12-diamine.
What is the SMILES notation for 1,2,3,4-tetranaphthalen-2-ylchrysene-6,12-diamine?
The canonical SMILES for 1,2,3,4-tetranaphthalen-2-ylchrysene-6,12-diamine is Nc1cc2c(cc(N)c3c(-c4ccc5ccccc5c4)c(-c4ccc5ccccc5c4)c(-c4ccc5ccccc5c4)c(-c4ccc5ccccc5c4)c32)c2ccccc12.
What is the InChIKey of 1,2,3,4-tetranaphthalen-2-ylchrysene-6,12-diamine?
The InChIKey is AVFZKVBRGJPCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2/c59-51-34-50-49(47-19-9-10-20-48(47)51)33-52(60)58-56(46-28-24-38-14-4-8-18-42(38)32-46)54(44-26-22-36-12-2-6-16-40(36)30-44)53(43-25-21-35-11-1-5-15-39(35)29-43)55(57(50)58)45-27-23-37-13-3-7-17-41(37)31-45/h1-34H,59-60H2.
What are the key properties of 1,2,3,4-tetranaphthalen-2-ylchrysene-6,12-diamine?
1,2,3,4-tetranaphthalen-2-ylchrysene-6,12-diamine has a molecular weight of 762.96 g/mol, XLogP of 15.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetranaphthalen-2-ylchrysene-6,12-diamine is sourced from PubChem (CID 87827288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).