N,N-bis[4-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]phenanthren-9-amine

C74H51N5 — CID 122425443

IUPACN,N-bis[4-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]phenanthren-9-amine
SMILESc1ccc(N2c3ccccc3N(c3cccc(-c4ccc(N(c5ccc(-c6cccc(N7c8ccccc8N(c8ccccc8)c8ccccc87)c6)cc5)c5cc6ccccc6c6ccccc56)cc4)c3)c3ccccc32)cc1
InChIInChI=1S/C74H51N5/c1-3-24-57(25-4-1)76-66-33-11-15-37-70(66)78(71-38-16-12-34-67(71)76)61-28-19-22-54(49-61)52-41-45-59(46-42-52)75(74-51-56-21-7-8-30-63(56)64-31-9-10-32-65(64)74)60-47-43-53(44-48-60)55-23-20-29-62(50-55)79-72-39-17-13-35-68(72)77(58-26-5-2-6-27-58)69-36-14-18-40-73(69)79/h1-51H
InChIKeyQPCRGZHSUDKNJM-UHFFFAOYSA-N
MW1010.26 g/mol
LogP21.30
Rot. Bonds9

About N,N-bis[4-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]phenanthren-9-amine

N,N-bis[4-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]phenanthren-9-amine (PubChem CID 122425443) has the molecular formula C74H51N5 and a molecular weight of 1010.26 g/mol. Its IUPAC name is N,N-bis[4-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN,N-bis[4-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]phenanthren-9-amine
PubChem CID122425443
Molecular FormulaC74H51N5
Molecular Weight1010.26 g/mol
Exact Mass1009.41
IUPAC NameN,N-bis[4-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]phenanthren-9-amine
SMILESc1ccc(N2c3ccccc3N(c3cccc(-c4ccc(N(c5ccc(-c6cccc(N7c8ccccc8N(c8ccccc8)c8ccccc87)c6)cc5)c5cc6ccccc6c6ccccc56)cc4)c3)c3ccccc32)cc1
InChIInChI=1S/C74H51N5/c1-3-24-57(25-4-1)76-66-33-11-15-37-70(66)78(71-38-16-12-34-67(71)76)61-28-19-22-54(49-61)52-41-45-59(46-42-52)75(74-51-56-21-7-8-30-63(56)64-31-9-10-32-65(64)74)60-47-43-53(44-48-60)55-23-20-29-62(50-55)79-72-39-17-13-35-68(72)77(58-26-5-2-6-27-58)69-36-14-18-40-73(69)79/h1-51H
InChIKeyQPCRGZHSUDKNJM-UHFFFAOYSA-N
XLogP21.30
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001010.26
LogP ≤ 521.30
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

bis(N,N-bis[4-[3-(9H-acridin-10-yl)phenyl]phenyl]dibenzofuran-3-amine);tris(N,N-bis[4-[3-(9H-acridin-10-yl)phenyl]phenyl]phenanthren-9-amine);N,N-bis[4-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]phenanthren-9-amine
CID 157390854
N-phenyl-N-[4-[3-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-9-amine
CID 145256486
N-(4-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]phenanthren-9-amine
CID 156577401
N-(3,5-diphenylphenyl)-N-[4-(3-phenylphenyl)phenyl]phenanthren-9-amine
CID 177079916
N-phenanthren-9-yl-5,10,10-triphenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine
CID 153458979
3-N'-phenanthren-9-yl-3-N',6-N',10-triphenyl-6-N'-(3-phenylphenyl)spiro[acridine-9,9'-fluorene]-3',6'-diamine
CID 167176832
methane;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine
CID 160578886
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 59470040
11-[4-(4-benzo[b][1]benzazepin-11-ylphenyl)phenyl]benzo[b][1]benzazepine;3-methyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-(3-methylphenyl)aniline;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine
CID 161357581
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 156578695
N-[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 90128470
N-(4-chlorophenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 142730125

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]phenanthren-9-amine?
The IUPAC name of N,N-bis[4-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]phenanthren-9-amine (CID 122425443) is N,N-bis[4-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]phenanthren-9-amine.
What is the SMILES notation for N,N-bis[4-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]phenanthren-9-amine?
The canonical SMILES for N,N-bis[4-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]phenanthren-9-amine is c1ccc(N2c3ccccc3N(c3cccc(-c4ccc(N(c5ccc(-c6cccc(N7c8ccccc8N(c8ccccc8)c8ccccc87)c6)cc5)c5cc6ccccc6c6ccccc56)cc4)c3)c3ccccc32)cc1.
What is the InChIKey of N,N-bis[4-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]phenanthren-9-amine?
The InChIKey is QPCRGZHSUDKNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H51N5/c1-3-24-57(25-4-1)76-66-33-11-15-37-70(66)78(71-38-16-12-34-67(71)76)61-28-19-22-54(49-61)52-41-45-59(46-42-52)75(74-51-56-21-7-8-30-63(56)64-31-9-10-32-65(64)74)60-47-43-53(44-48-60)55-23-20-29-62(50-55)79-72-39-17-13-35-68(72)77(58-26-5-2-6-27-58)69-36-14-18-40-73(69)79/h1-51H.
What are the key properties of N,N-bis[4-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]phenanthren-9-amine?
N,N-bis[4-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]phenanthren-9-amine has a molecular weight of 1010.26 g/mol, XLogP of 21.30, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]phenanthren-9-amine is sourced from PubChem (CID 122425443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).