2-N,2-N,6-N,6-N,9,10-hexanaphthalen-2-ylanthracene-2,6-diamine

C74H48N2 — CID 58927073

IUPAC2-N,2-N,6-N,6-N,9,10-hexanaphthalen-2-ylanthracene-2,6-diamine
SMILESc1ccc2cc(-c3c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4c(-c4ccc5ccccc5c4)c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc34)ccc2c1
InChIInChI=1S/C74H48N2/c1-7-19-55-41-61(27-25-49(55)13-1)73-69-39-37-68(76(65-35-31-53-17-5-11-23-59(53)45-65)66-36-32-54-18-6-12-24-60(54)46-66)48-72(69)74(62-28-26-50-14-2-8-20-56(50)42-62)70-40-38-67(47-71(70)73)75(63-33-29-51-15-3-9-21-57(51)43-63)64-34-30-52-16-4-10-22-58(52)44-64/h1-48H
InChIKeyUARASFYUTGLDKV-UHFFFAOYSA-N
MW965.21 g/mol
LogP21.19
Rot. Bonds8

About 2-N,2-N,6-N,6-N,9,10-hexanaphthalen-2-ylanthracene-2,6-diamine

2-N,2-N,6-N,6-N,9,10-hexanaphthalen-2-ylanthracene-2,6-diamine (PubChem CID 58927073) has the molecular formula C74H48N2 and a molecular weight of 965.21 g/mol. Its IUPAC name is 2-N,2-N,6-N,6-N,9,10-hexanaphthalen-2-ylanthracene-2,6-diamine.

Molecular Properties

Compound Name2-N,2-N,6-N,6-N,9,10-hexanaphthalen-2-ylanthracene-2,6-diamine
PubChem CID58927073
Molecular FormulaC74H48N2
Molecular Weight965.21 g/mol
Exact Mass964.38
IUPAC Name2-N,2-N,6-N,6-N,9,10-hexanaphthalen-2-ylanthracene-2,6-diamine
SMILESc1ccc2cc(-c3c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4c(-c4ccc5ccccc5c4)c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc34)ccc2c1
InChIInChI=1S/C74H48N2/c1-7-19-55-41-61(27-25-49(55)13-1)73-69-39-37-68(76(65-35-31-53-17-5-11-23-59(53)45-65)66-36-32-54-18-6-12-24-60(54)46-66)48-72(69)74(62-28-26-50-14-2-8-20-56(50)42-62)70-40-38-67(47-71(70)73)75(63-33-29-51-15-3-9-21-57(51)43-63)64-34-30-52-16-4-10-22-58(52)44-64/h1-48H
InChIKeyUARASFYUTGLDKV-UHFFFAOYSA-N
XLogP21.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500965.21
LogP ≤ 521.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N,6-N,9-trinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766461
9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 88869069
9-naphthalen-2-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 90194162
9,10-dinaphthalen-2-yl-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-N-(4-phenylphenyl)anthracen-2-amine
CID 58963420
9,10-dinaphthalen-2-ylanthracene;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine
CID 161402178
9-[4-[6-[10-naphthalen-2-yl-2,6-bis(N-phenylanilino)anthracen-9-yl]naphthalen-2-yl]phenyl]-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6-diamine
CID 134490814
2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine
CID 90194196
2-N,6-N-dinaphthalen-2-yl-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 58855163
N,N-bis(4-methoxyphenyl)-9,10-dinaphthalen-2-ylanthracen-2-amine
CID 162497114
9-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N,10-tris(3-phenylphenyl)anthracene-2,6-diamine
CID 59766227
2-N,6-N-dinaphthalen-1-yl-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;2-N,6-N,9,10-tetranaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine
CID 157149374
2-N,2-N,6-N,6-N-tetra(dibenzofuran-3-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine
CID 89254502

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,6-N,6-N,9,10-hexanaphthalen-2-ylanthracene-2,6-diamine?
The IUPAC name of 2-N,2-N,6-N,6-N,9,10-hexanaphthalen-2-ylanthracene-2,6-diamine (CID 58927073) is 2-N,2-N,6-N,6-N,9,10-hexanaphthalen-2-ylanthracene-2,6-diamine.
What is the SMILES notation for 2-N,2-N,6-N,6-N,9,10-hexanaphthalen-2-ylanthracene-2,6-diamine?
The canonical SMILES for 2-N,2-N,6-N,6-N,9,10-hexanaphthalen-2-ylanthracene-2,6-diamine is c1ccc2cc(-c3c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4c(-c4ccc5ccccc5c4)c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc34)ccc2c1.
What is the InChIKey of 2-N,2-N,6-N,6-N,9,10-hexanaphthalen-2-ylanthracene-2,6-diamine?
The InChIKey is UARASFYUTGLDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H48N2/c1-7-19-55-41-61(27-25-49(55)13-1)73-69-39-37-68(76(65-35-31-53-17-5-11-23-59(53)45-65)66-36-32-54-18-6-12-24-60(54)46-66)48-72(69)74(62-28-26-50-14-2-8-20-56(50)42-62)70-40-38-67(47-71(70)73)75(63-33-29-51-15-3-9-21-57(51)43-63)64-34-30-52-16-4-10-22-58(52)44-64/h1-48H.
What are the key properties of 2-N,2-N,6-N,6-N,9,10-hexanaphthalen-2-ylanthracene-2,6-diamine?
2-N,2-N,6-N,6-N,9,10-hexanaphthalen-2-ylanthracene-2,6-diamine has a molecular weight of 965.21 g/mol, XLogP of 21.19, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,6-N,6-N,9,10-hexanaphthalen-2-ylanthracene-2,6-diamine is sourced from PubChem (CID 58927073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).