5-N,5-N,10-N,10-N,2-pentakis-phenyl-3-[4-(N-phenylanilino)phenyl]phenanthro[9,10-d]imidazole-5,10-diamine

C63H45N5 — CID 59188554

IUPAC5-N,5-N,10-N,10-N,2-pentakis-phenyl-3-[4-(N-phenylanilino)phenyl]phenanthro[9,10-d]imidazole-5,10-diamine
SMILESc1ccc(-c2nc3c4cc(N(c5ccccc5)c5ccccc5)ccc4c4ccc(N(c5ccccc5)c5ccccc5)cc4c3n2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C63H45N5/c1-8-22-46(23-9-1)63-64-61-59-44-55(66(49-28-14-4-15-29-49)50-30-16-5-17-31-50)40-42-57(59)58-43-41-56(67(51-32-18-6-19-33-51)52-34-20-7-21-35-52)45-60(58)62(61)68(63)54-38-36-53(37-39-54)65(47-24-10-2-11-25-47)48-26-12-3-13-27-48/h1-45H
InChIKeyUEACUWMFOXKJGU-UHFFFAOYSA-N
MW872.09 g/mol
LogP17.41
Rot. Bonds11

About 5-N,5-N,10-N,10-N,2-pentakis-phenyl-3-[4-(N-phenylanilino)phenyl]phenanthro[9,10-d]imidazole-5,10-diamine

5-N,5-N,10-N,10-N,2-pentakis-phenyl-3-[4-(N-phenylanilino)phenyl]phenanthro[9,10-d]imidazole-5,10-diamine (PubChem CID 59188554) has the molecular formula C63H45N5 and a molecular weight of 872.09 g/mol. Its IUPAC name is 5-N,5-N,10-N,10-N,2-pentakis-phenyl-3-[4-(N-phenylanilino)phenyl]phenanthro[9,10-d]imidazole-5,10-diamine.

Molecular Properties

Compound Name5-N,5-N,10-N,10-N,2-pentakis-phenyl-3-[4-(N-phenylanilino)phenyl]phenanthro[9,10-d]imidazole-5,10-diamine
PubChem CID59188554
Molecular FormulaC63H45N5
Molecular Weight872.09 g/mol
Exact Mass871.37
IUPAC Name5-N,5-N,10-N,10-N,2-pentakis-phenyl-3-[4-(N-phenylanilino)phenyl]phenanthro[9,10-d]imidazole-5,10-diamine
SMILESc1ccc(-c2nc3c4cc(N(c5ccccc5)c5ccccc5)ccc4c4ccc(N(c5ccccc5)c5ccccc5)cc4c3n2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C63H45N5/c1-8-22-46(23-9-1)63-64-61-59-44-55(66(49-28-14-4-15-29-49)50-30-16-5-17-31-50)40-42-57(59)58-43-41-56(67(51-32-18-6-19-33-51)52-34-20-7-21-35-52)45-60(58)62(61)68(63)54-38-36-53(37-39-54)65(47-24-10-2-11-25-47)48-26-12-3-13-27-48/h1-45H
InChIKeyUEACUWMFOXKJGU-UHFFFAOYSA-N
XLogP17.41
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.09
LogP ≤ 517.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1,2-diphenylphenanthro[9,10-d]imidazol-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166889866
N-phenyl-N-[4-(4-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaen-3-yl)phenyl]naphthalen-2-amine
CID 58835685
4-[4-[2-[4-(N-phenylanilino)phenyl]phenanthro[9,10-d]imidazol-3-yl]phenyl]benzonitrile
CID 132513511
3-(4-methylphenyl)-2-phenylphenanthro[9,10-d]imidazole
CID 139176008
11-phenyl-12-[4-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole
CID 126500785
potassium;iodocopper;5-iodo-10-methyl-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;2-naphthalen-1-yl-5-N,5-N,10-N,10-N,3-pentakis-phenylphenanthro[9,10-d]imidazole-5,10-diamine;N-phenylaniline;hydroxide
CID 160675124
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine
CID 138746953
N-[4-[3-(2,3-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 122424952
N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine
CID 58362096
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-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-2-ylphenanthren-2-amine
CID 122424886
3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole
CID 88598678

Frequently Asked Questions

What is the IUPAC name of 5-N,5-N,10-N,10-N,2-pentakis-phenyl-3-[4-(N-phenylanilino)phenyl]phenanthro[9,10-d]imidazole-5,10-diamine?
The IUPAC name of 5-N,5-N,10-N,10-N,2-pentakis-phenyl-3-[4-(N-phenylanilino)phenyl]phenanthro[9,10-d]imidazole-5,10-diamine (CID 59188554) is 5-N,5-N,10-N,10-N,2-pentakis-phenyl-3-[4-(N-phenylanilino)phenyl]phenanthro[9,10-d]imidazole-5,10-diamine.
What is the SMILES notation for 5-N,5-N,10-N,10-N,2-pentakis-phenyl-3-[4-(N-phenylanilino)phenyl]phenanthro[9,10-d]imidazole-5,10-diamine?
The canonical SMILES for 5-N,5-N,10-N,10-N,2-pentakis-phenyl-3-[4-(N-phenylanilino)phenyl]phenanthro[9,10-d]imidazole-5,10-diamine is c1ccc(-c2nc3c4cc(N(c5ccccc5)c5ccccc5)ccc4c4ccc(N(c5ccccc5)c5ccccc5)cc4c3n2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 5-N,5-N,10-N,10-N,2-pentakis-phenyl-3-[4-(N-phenylanilino)phenyl]phenanthro[9,10-d]imidazole-5,10-diamine?
The InChIKey is UEACUWMFOXKJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45N5/c1-8-22-46(23-9-1)63-64-61-59-44-55(66(49-28-14-4-15-29-49)50-30-16-5-17-31-50)40-42-57(59)58-43-41-56(67(51-32-18-6-19-33-51)52-34-20-7-21-35-52)45-60(58)62(61)68(63)54-38-36-53(37-39-54)65(47-24-10-2-11-25-47)48-26-12-3-13-27-48/h1-45H.
What are the key properties of 5-N,5-N,10-N,10-N,2-pentakis-phenyl-3-[4-(N-phenylanilino)phenyl]phenanthro[9,10-d]imidazole-5,10-diamine?
5-N,5-N,10-N,10-N,2-pentakis-phenyl-3-[4-(N-phenylanilino)phenyl]phenanthro[9,10-d]imidazole-5,10-diamine has a molecular weight of 872.09 g/mol, XLogP of 17.41, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N,10-N,10-N,2-pentakis-phenyl-3-[4-(N-phenylanilino)phenyl]phenanthro[9,10-d]imidazole-5,10-diamine is sourced from PubChem (CID 59188554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).