9-N,10-N-diphenyl-9-N,10-N-di(triphenylen-2-yl)-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine

C62H48N2 — CID 118180150

IUPAC9-N,10-N-diphenyl-9-N,10-N-di(triphenylen-2-yl)-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine
SMILESc1ccc(N(c2ccc3c4ccccc4c4ccccc4c3c2)c2c3c(c(N(c4ccccc4)c4ccc5c6ccccc6c6ccccc6c5c4)c4c2CCCC4)CCCC3)cc1
InChIInChI=1S/C62H48N2/c1-3-19-41(20-4-1)63(43-35-37-53-49-27-9-7-23-45(49)47-25-11-13-29-51(47)59(53)39-43)61-55-31-15-17-33-57(55)62(58-34-18-16-32-56(58)61)64(42-21-5-2-6-22-42)44-36-38-54-50-28-10-8-24-46(50)48-26-12-14-30-52(48)60(54)40-44/h1-14,19-30,35-40H,15-18,31-34H2
InChIKeyODNUJSGFLIWSSG-UHFFFAOYSA-N
MW821.08 g/mol
LogP17.30
Rot. Bonds6

About 9-N,10-N-diphenyl-9-N,10-N-di(triphenylen-2-yl)-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine

9-N,10-N-diphenyl-9-N,10-N-di(triphenylen-2-yl)-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine (PubChem CID 118180150) has the molecular formula C62H48N2 and a molecular weight of 821.08 g/mol. Its IUPAC name is 9-N,10-N-diphenyl-9-N,10-N-di(triphenylen-2-yl)-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine.

Molecular Properties

Compound Name9-N,10-N-diphenyl-9-N,10-N-di(triphenylen-2-yl)-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine
PubChem CID118180150
Molecular FormulaC62H48N2
Molecular Weight821.08 g/mol
Exact Mass820.38
IUPAC Name9-N,10-N-diphenyl-9-N,10-N-di(triphenylen-2-yl)-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine
SMILESc1ccc(N(c2ccc3c4ccccc4c4ccccc4c3c2)c2c3c(c(N(c4ccccc4)c4ccc5c6ccccc6c6ccccc6c5c4)c4c2CCCC4)CCCC3)cc1
InChIInChI=1S/C62H48N2/c1-3-19-41(20-4-1)63(43-35-37-53-49-27-9-7-23-45(49)47-25-11-13-29-51(47)59(53)39-43)61-55-31-15-17-33-57(55)62(58-34-18-16-32-56(58)61)64(42-21-5-2-6-22-42)44-36-38-54-50-28-10-8-24-46(50)48-26-12-14-30-52(48)60(54)40-44/h1-14,19-30,35-40H,15-18,31-34H2
InChIKeyODNUJSGFLIWSSG-UHFFFAOYSA-N
XLogP17.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.08
LogP ≤ 517.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-N,9-N,10-N,10-N-tetraphenyl-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine
CID 118180118
N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine
CID 157494706
N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine
CID 58362096
2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyltriphenylene-2,6-diamine
CID 20733869
7-[3-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)triphenylen-2-amine
CID 88884899
5-N,18-N-diphenyl-5-N,18-N-bis(2,4,6-trimethylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
CID 121476543
1-N,4-N-bis[4-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-1-N,4-N-bis(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)benzene-1,4-diamine
CID 118180101
3-N,9-N-bis(4-cyclohexylphenyl)-10-methyl-3-N,9-N-diphenylphenanthrene-3,9-diamine
CID 121277488
5-N,18-N-diphenyl-5-N,18-N-bis[4-(3-phenylphenyl)phenyl]hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene-5,18-diamine
CID 89010766
2-methyl-N-(4-phenanthren-9-ylphenyl)-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 174294195
N,N-bis(4-phenylphenyl)-10-pyren-2-yl-1,2,3,4,5,6,7,8-octahydroanthracen-9-amine
CID 118178040
2-N,2-N,7-N-triphenyl-7-N-triphenylen-2-yldibenzothiophene-2,7-diamine
CID 146576040

Frequently Asked Questions

What is the IUPAC name of 9-N,10-N-diphenyl-9-N,10-N-di(triphenylen-2-yl)-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine?
The IUPAC name of 9-N,10-N-diphenyl-9-N,10-N-di(triphenylen-2-yl)-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine (CID 118180150) is 9-N,10-N-diphenyl-9-N,10-N-di(triphenylen-2-yl)-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine.
What is the SMILES notation for 9-N,10-N-diphenyl-9-N,10-N-di(triphenylen-2-yl)-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine?
The canonical SMILES for 9-N,10-N-diphenyl-9-N,10-N-di(triphenylen-2-yl)-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine is c1ccc(N(c2ccc3c4ccccc4c4ccccc4c3c2)c2c3c(c(N(c4ccccc4)c4ccc5c6ccccc6c6ccccc6c5c4)c4c2CCCC4)CCCC3)cc1.
What is the InChIKey of 9-N,10-N-diphenyl-9-N,10-N-di(triphenylen-2-yl)-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine?
The InChIKey is ODNUJSGFLIWSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H48N2/c1-3-19-41(20-4-1)63(43-35-37-53-49-27-9-7-23-45(49)47-25-11-13-29-51(47)59(53)39-43)61-55-31-15-17-33-57(55)62(58-34-18-16-32-56(58)61)64(42-21-5-2-6-22-42)44-36-38-54-50-28-10-8-24-46(50)48-26-12-14-30-52(48)60(54)40-44/h1-14,19-30,35-40H,15-18,31-34H2.
What are the key properties of 9-N,10-N-diphenyl-9-N,10-N-di(triphenylen-2-yl)-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine?
9-N,10-N-diphenyl-9-N,10-N-di(triphenylen-2-yl)-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine has a molecular weight of 821.08 g/mol, XLogP of 17.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,10-N-diphenyl-9-N,10-N-di(triphenylen-2-yl)-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine is sourced from PubChem (CID 118180150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).