2-N,2-N,6-N,6-N,9,10-hexakis(4-phenylphenyl)anthracene-2,6-diamine

C86H60N2 — CID 90194161

IUPAC2-N,2-N,6-N,6-N,9,10-hexakis(4-phenylphenyl)anthracene-2,6-diamine
SMILESc1ccc(-c2ccc(-c3c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4c(-c4ccc(-c5ccccc5)cc4)c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc34)cc2)cc1
InChIInChI=1S/C86H60N2/c1-7-19-61(20-8-1)67-31-35-73(36-32-67)85-81-57-55-80(88(77-51-43-71(44-52-77)65-27-15-5-16-28-65)78-53-45-72(46-54-78)66-29-17-6-18-30-66)60-84(81)86(74-37-33-68(34-38-74)62-21-9-2-10-22-62)82-58-56-79(59-83(82)85)87(75-47-39-69(40-48-75)63-23-11-3-12-24-63)76-49-41-70(42-50-76)64-25-13-4-14-26-64/h1-60H
InChIKeyOBEJHYRZLAPUML-UHFFFAOYSA-N
MW1121.44 g/mol
LogP24.27
Rot. Bonds14

About 2-N,2-N,6-N,6-N,9,10-hexakis(4-phenylphenyl)anthracene-2,6-diamine

2-N,2-N,6-N,6-N,9,10-hexakis(4-phenylphenyl)anthracene-2,6-diamine (PubChem CID 90194161) has the molecular formula C86H60N2 and a molecular weight of 1121.44 g/mol. Its IUPAC name is 2-N,2-N,6-N,6-N,9,10-hexakis(4-phenylphenyl)anthracene-2,6-diamine.

Molecular Properties

Compound Name2-N,2-N,6-N,6-N,9,10-hexakis(4-phenylphenyl)anthracene-2,6-diamine
PubChem CID90194161
Molecular FormulaC86H60N2
Molecular Weight1121.44 g/mol
Exact Mass1120.48
IUPAC Name2-N,2-N,6-N,6-N,9,10-hexakis(4-phenylphenyl)anthracene-2,6-diamine
SMILESc1ccc(-c2ccc(-c3c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4c(-c4ccc(-c5ccccc5)cc4)c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc34)cc2)cc1
InChIInChI=1S/C86H60N2/c1-7-19-61(20-8-1)67-31-35-73(36-32-67)85-81-57-55-80(88(77-51-43-71(44-52-77)65-27-15-5-16-28-65)78-53-45-72(46-54-78)66-29-17-6-18-30-66)60-84(81)86(74-37-33-68(34-38-74)62-21-9-2-10-22-62)82-58-56-79(59-83(82)85)87(75-47-39-69(40-48-75)63-23-11-3-12-24-63)76-49-41-70(42-50-76)64-25-13-4-14-26-64/h1-60H
InChIKeyOBEJHYRZLAPUML-UHFFFAOYSA-N
XLogP24.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001121.44
LogP ≤ 524.27
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-bis(4-methylphenyl)-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 59766189
9-naphthalen-2-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 90194162
2-N,6-N-dinaphthalen-2-yl-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 58855163
6-N,6-N,16-N,16-N,3,10,13,20-octakis-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,16-diamine
CID 166033321
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-yl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 88869069
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
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59221806
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine
CID 59221815
9-naphthalen-1-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 59766228
9-(4-ethenylphenyl)-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6-diamine
CID 88909395
N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(4-phenylphenyl)phenanthren-2-amine
CID 169063848

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,6-N,6-N,9,10-hexakis(4-phenylphenyl)anthracene-2,6-diamine?
The IUPAC name of 2-N,2-N,6-N,6-N,9,10-hexakis(4-phenylphenyl)anthracene-2,6-diamine (CID 90194161) is 2-N,2-N,6-N,6-N,9,10-hexakis(4-phenylphenyl)anthracene-2,6-diamine.
What is the SMILES notation for 2-N,2-N,6-N,6-N,9,10-hexakis(4-phenylphenyl)anthracene-2,6-diamine?
The canonical SMILES for 2-N,2-N,6-N,6-N,9,10-hexakis(4-phenylphenyl)anthracene-2,6-diamine is c1ccc(-c2ccc(-c3c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4c(-c4ccc(-c5ccccc5)cc4)c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc34)cc2)cc1.
What is the InChIKey of 2-N,2-N,6-N,6-N,9,10-hexakis(4-phenylphenyl)anthracene-2,6-diamine?
The InChIKey is OBEJHYRZLAPUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H60N2/c1-7-19-61(20-8-1)67-31-35-73(36-32-67)85-81-57-55-80(88(77-51-43-71(44-52-77)65-27-15-5-16-28-65)78-53-45-72(46-54-78)66-29-17-6-18-30-66)60-84(81)86(74-37-33-68(34-38-74)62-21-9-2-10-22-62)82-58-56-79(59-83(82)85)87(75-47-39-69(40-48-75)63-23-11-3-12-24-63)76-49-41-70(42-50-76)64-25-13-4-14-26-64/h1-60H.
What are the key properties of 2-N,2-N,6-N,6-N,9,10-hexakis(4-phenylphenyl)anthracene-2,6-diamine?
2-N,2-N,6-N,6-N,9,10-hexakis(4-phenylphenyl)anthracene-2,6-diamine has a molecular weight of 1121.44 g/mol, XLogP of 24.27, 14 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-hexakis(4-phenylphenyl)anthracene-2,6-diamine is sourced from PubChem (CID 90194161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).