2-N,6-N-dinaphthalen-2-yl-9,10-di(phenanthren-9-yl)-2-N,6-N-diphenylanthracene-2,6-diamine

C74H48N2 — CID 88869094

IUPAC2-N,6-N-dinaphthalen-2-yl-9,10-di(phenanthren-9-yl)-2-N,6-N-diphenylanthracene-2,6-diamine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2ccc3c(-c4cc5ccccc5c5ccccc45)c4cc(N(c5ccccc5)c5ccc6ccccc6c5)ccc4c(-c4cc5ccccc5c5ccccc45)c3c2)cc1
InChIInChI=1S/C74H48N2/c1-3-25-55(26-4-1)75(57-37-35-49-19-7-9-21-51(49)43-57)59-39-41-67-71(47-59)73(69-45-53-23-11-13-29-61(53)63-31-15-17-33-65(63)69)68-42-40-60(76(56-27-5-2-6-28-56)58-38-36-50-20-8-10-22-52(50)44-58)48-72(68)74(67)70-46-54-24-12-14-30-62(54)64-32-16-18-34-66(64)70/h1-48H
InChIKeyOKXRVUJFONQSAD-UHFFFAOYSA-N
MW965.21 g/mol
LogP21.19
Rot. Bonds8

About 2-N,6-N-dinaphthalen-2-yl-9,10-di(phenanthren-9-yl)-2-N,6-N-diphenylanthracene-2,6-diamine

2-N,6-N-dinaphthalen-2-yl-9,10-di(phenanthren-9-yl)-2-N,6-N-diphenylanthracene-2,6-diamine (PubChem CID 88869094) has the molecular formula C74H48N2 and a molecular weight of 965.21 g/mol. Its IUPAC name is 2-N,6-N-dinaphthalen-2-yl-9,10-di(phenanthren-9-yl)-2-N,6-N-diphenylanthracene-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N-dinaphthalen-2-yl-9,10-di(phenanthren-9-yl)-2-N,6-N-diphenylanthracene-2,6-diamine
PubChem CID88869094
Molecular FormulaC74H48N2
Molecular Weight965.21 g/mol
Exact Mass964.38
IUPAC Name2-N,6-N-dinaphthalen-2-yl-9,10-di(phenanthren-9-yl)-2-N,6-N-diphenylanthracene-2,6-diamine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2ccc3c(-c4cc5ccccc5c5ccccc45)c4cc(N(c5ccccc5)c5ccc6ccccc6c5)ccc4c(-c4cc5ccccc5c5ccccc45)c3c2)cc1
InChIInChI=1S/C74H48N2/c1-3-25-55(26-4-1)75(57-37-35-49-19-7-9-21-51(49)43-57)59-39-41-67-71(47-59)73(69-45-53-23-11-13-29-61(53)63-31-15-17-33-65(63)69)68-42-40-60(76(56-27-5-2-6-28-56)58-38-36-50-20-8-10-22-52(50)44-58)48-72(68)74(67)70-46-54-24-12-14-30-62(54)64-32-16-18-34-66(64)70/h1-48H
InChIKeyOKXRVUJFONQSAD-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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-N,7-N-dinaphthalen-2-yl-5-phenanthren-9-yl-2-N,7-N,10-triphenylbenzo[g]quinoline-2,7-diamine
CID 89061988
9-naphthalen-1-yl-2-N-naphthalen-2-yl-10-(3-phenanthren-9-ylphenyl)-2-N,6-N,6-N-triphenylanthracene-2,6-diamine
CID 89061202
2-N,6-N,9-trinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766461
9,10-dinaphthalen-2-ylanthracene;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine
CID 161402178
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-(3-naphthalen-2-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062788
N-(4-phenanthren-9-ylphenyl)-N-phenyltriphenylen-2-amine
CID 155304063
N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]naphthalen-2-amine
CID 166956443
9-(4-methylphenyl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766271
2-N,2-N,6-N,6-N,9,10-hexanaphthalen-2-ylanthracene-2,6-diamine
CID 58927073
9,10-dinaphthalen-2-yl-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-N-(4-phenylphenyl)anthracen-2-amine
CID 58963420

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-dinaphthalen-2-yl-9,10-di(phenanthren-9-yl)-2-N,6-N-diphenylanthracene-2,6-diamine?
The IUPAC name of 2-N,6-N-dinaphthalen-2-yl-9,10-di(phenanthren-9-yl)-2-N,6-N-diphenylanthracene-2,6-diamine (CID 88869094) is 2-N,6-N-dinaphthalen-2-yl-9,10-di(phenanthren-9-yl)-2-N,6-N-diphenylanthracene-2,6-diamine.
What is the SMILES notation for 2-N,6-N-dinaphthalen-2-yl-9,10-di(phenanthren-9-yl)-2-N,6-N-diphenylanthracene-2,6-diamine?
The canonical SMILES for 2-N,6-N-dinaphthalen-2-yl-9,10-di(phenanthren-9-yl)-2-N,6-N-diphenylanthracene-2,6-diamine is c1ccc(N(c2ccc3ccccc3c2)c2ccc3c(-c4cc5ccccc5c5ccccc45)c4cc(N(c5ccccc5)c5ccc6ccccc6c5)ccc4c(-c4cc5ccccc5c5ccccc45)c3c2)cc1.
What is the InChIKey of 2-N,6-N-dinaphthalen-2-yl-9,10-di(phenanthren-9-yl)-2-N,6-N-diphenylanthracene-2,6-diamine?
The InChIKey is OKXRVUJFONQSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H48N2/c1-3-25-55(26-4-1)75(57-37-35-49-19-7-9-21-51(49)43-57)59-39-41-67-71(47-59)73(69-45-53-23-11-13-29-61(53)63-31-15-17-33-65(63)69)68-42-40-60(76(56-27-5-2-6-28-56)58-38-36-50-20-8-10-22-52(50)44-58)48-72(68)74(67)70-46-54-24-12-14-30-62(54)64-32-16-18-34-66(64)70/h1-48H.
What are the key properties of 2-N,6-N-dinaphthalen-2-yl-9,10-di(phenanthren-9-yl)-2-N,6-N-diphenylanthracene-2,6-diamine?
2-N,6-N-dinaphthalen-2-yl-9,10-di(phenanthren-9-yl)-2-N,6-N-diphenylanthracene-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,6-N-dinaphthalen-2-yl-9,10-di(phenanthren-9-yl)-2-N,6-N-diphenylanthracene-2,6-diamine is sourced from PubChem (CID 88869094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).