9-[4-[4,7-diphenyl-9-(N-phenylanilino)-1,10-phenanthrolin-2-yl]phenyl]-N,N,4,7-tetraphenyl-1,10-phenanthrolin-2-amine

C78H52N6 — CID 59736509

IUPAC9-[4-[4,7-diphenyl-9-(N-phenylanilino)-1,10-phenanthrolin-2-yl]phenyl]-N,N,4,7-tetraphenyl-1,10-phenanthrolin-2-amine
SMILESc1ccc(-c2cc(-c3ccc(-c4cc(-c5ccccc5)c5ccc6c(-c7ccccc7)cc(N(c7ccccc7)c7ccccc7)nc6c5n4)cc3)nc3c2ccc2c(-c4ccccc4)cc(N(c4ccccc4)c4ccccc4)nc23)cc1
InChIInChI=1S/C78H52N6/c1-9-25-53(26-10-1)67-49-71(79-75-63(67)45-47-65-69(55-29-13-3-14-30-55)51-73(81-77(65)75)83(59-33-17-5-18-34-59)60-35-19-6-20-36-60)57-41-43-58(44-42-57)72-50-68(54-27-11-2-12-28-54)64-46-48-66-70(56-31-15-4-16-32-56)52-74(82-78(66)76(64)80-72)84(61-37-21-7-22-38-61)62-39-23-8-24-40-62/h1-52H
InChIKeyQLUMCNPPTTXMQV-UHFFFAOYSA-N
MW1073.32 g/mol
LogP20.82
Rot. Bonds12

About 9-[4-[4,7-diphenyl-9-(N-phenylanilino)-1,10-phenanthrolin-2-yl]phenyl]-N,N,4,7-tetraphenyl-1,10-phenanthrolin-2-amine

9-[4-[4,7-diphenyl-9-(N-phenylanilino)-1,10-phenanthrolin-2-yl]phenyl]-N,N,4,7-tetraphenyl-1,10-phenanthrolin-2-amine (PubChem CID 59736509) has the molecular formula C78H52N6 and a molecular weight of 1073.32 g/mol. Its IUPAC name is 9-[4-[4,7-diphenyl-9-(N-phenylanilino)-1,10-phenanthrolin-2-yl]phenyl]-N,N,4,7-tetraphenyl-1,10-phenanthrolin-2-amine.

Molecular Properties

Compound Name9-[4-[4,7-diphenyl-9-(N-phenylanilino)-1,10-phenanthrolin-2-yl]phenyl]-N,N,4,7-tetraphenyl-1,10-phenanthrolin-2-amine
PubChem CID59736509
Molecular FormulaC78H52N6
Molecular Weight1073.32 g/mol
Exact Mass1072.43
IUPAC Name9-[4-[4,7-diphenyl-9-(N-phenylanilino)-1,10-phenanthrolin-2-yl]phenyl]-N,N,4,7-tetraphenyl-1,10-phenanthrolin-2-amine
SMILESc1ccc(-c2cc(-c3ccc(-c4cc(-c5ccccc5)c5ccc6c(-c7ccccc7)cc(N(c7ccccc7)c7ccccc7)nc6c5n4)cc3)nc3c2ccc2c(-c4ccccc4)cc(N(c4ccccc4)c4ccccc4)nc23)cc1
InChIInChI=1S/C78H52N6/c1-9-25-53(26-10-1)67-49-71(79-75-63(67)45-47-65-69(55-29-13-3-14-30-55)51-73(81-77(65)75)83(59-33-17-5-18-34-59)60-35-19-6-20-36-60)57-41-43-58(44-42-57)72-50-68(54-27-11-2-12-28-54)64-46-48-66-70(56-31-15-4-16-32-56)52-74(82-78(66)76(64)80-72)84(61-37-21-7-22-38-61)62-39-23-8-24-40-62/h1-52H
InChIKeyQLUMCNPPTTXMQV-UHFFFAOYSA-N
XLogP20.82
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001073.32
LogP ≤ 520.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,4,7,9-tetraphenyl-1,10-phenanthroline
CID 15567799
9-[4-(7,9-diphenyl-1,10-phenanthrolin-2-yl)phenyl]-2,4-diphenyl-1,10-phenanthroline
CID 59736484
2,9-bis(4-benzhydrylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 58401132
2-methyl-4,7,9-triphenyl-1,10-phenanthroline
CID 58704555
4,7-dinaphthalen-2-yl-2,9-diphenyl-1,10-phenanthroline
CID 70909440
4,7-bis(4-phenylphenyl)-2,9-bis(4-phenylsulfanylphenyl)-1,10-phenanthroline
CID 70909553
4,7-bis(4-tert-butylphenyl)-2,9-bis(4-phenylphenyl)-1,10-phenanthroline
CID 70909450
2-phenyl-4-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]-1,10-phenanthroline
CID 155006745
2,9-bis(4-phenylphenyl)-4,7-bis(4-pyrimidin-2-ylphenyl)-1,10-phenanthroline
CID 68745888
4-[7-(4-cyanophenyl)-2,9-bis(4-phenylphenyl)-1,10-phenanthrolin-4-yl]benzonitrile
CID 70909439
4-[13,26,31,44,49-pentakis[4-(N-phenylanilino)phenyl]-3,9,12,18,21,27,30,36,39,45,48,54-dodecazatridecacyclo[36.16.0.02,19.04,17.05,10.011,16.020,37.022,35.023,28.029,34.040,53.041,46.047,52]tetrapentaconta-1(54),2,4(17),5(10),6,8,11(16),12,14,18,20,22(35),23(28),24,26,29(34),30,32,36,38,40(53),41(46),42,44,47(52),48,50-heptacosaen-8-yl]-N,N-diphenylaniline
CID 101461953
2,9-diphenyl-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline
CID 168818398

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4,7-diphenyl-9-(N-phenylanilino)-1,10-phenanthrolin-2-yl]phenyl]-N,N,4,7-tetraphenyl-1,10-phenanthrolin-2-amine?
The IUPAC name of 9-[4-[4,7-diphenyl-9-(N-phenylanilino)-1,10-phenanthrolin-2-yl]phenyl]-N,N,4,7-tetraphenyl-1,10-phenanthrolin-2-amine (CID 59736509) is 9-[4-[4,7-diphenyl-9-(N-phenylanilino)-1,10-phenanthrolin-2-yl]phenyl]-N,N,4,7-tetraphenyl-1,10-phenanthrolin-2-amine.
What is the SMILES notation for 9-[4-[4,7-diphenyl-9-(N-phenylanilino)-1,10-phenanthrolin-2-yl]phenyl]-N,N,4,7-tetraphenyl-1,10-phenanthrolin-2-amine?
The canonical SMILES for 9-[4-[4,7-diphenyl-9-(N-phenylanilino)-1,10-phenanthrolin-2-yl]phenyl]-N,N,4,7-tetraphenyl-1,10-phenanthrolin-2-amine is c1ccc(-c2cc(-c3ccc(-c4cc(-c5ccccc5)c5ccc6c(-c7ccccc7)cc(N(c7ccccc7)c7ccccc7)nc6c5n4)cc3)nc3c2ccc2c(-c4ccccc4)cc(N(c4ccccc4)c4ccccc4)nc23)cc1.
What is the InChIKey of 9-[4-[4,7-diphenyl-9-(N-phenylanilino)-1,10-phenanthrolin-2-yl]phenyl]-N,N,4,7-tetraphenyl-1,10-phenanthrolin-2-amine?
The InChIKey is QLUMCNPPTTXMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H52N6/c1-9-25-53(26-10-1)67-49-71(79-75-63(67)45-47-65-69(55-29-13-3-14-30-55)51-73(81-77(65)75)83(59-33-17-5-18-34-59)60-35-19-6-20-36-60)57-41-43-58(44-42-57)72-50-68(54-27-11-2-12-28-54)64-46-48-66-70(56-31-15-4-16-32-56)52-74(82-78(66)76(64)80-72)84(61-37-21-7-22-38-61)62-39-23-8-24-40-62/h1-52H.
What are the key properties of 9-[4-[4,7-diphenyl-9-(N-phenylanilino)-1,10-phenanthrolin-2-yl]phenyl]-N,N,4,7-tetraphenyl-1,10-phenanthrolin-2-amine?
9-[4-[4,7-diphenyl-9-(N-phenylanilino)-1,10-phenanthrolin-2-yl]phenyl]-N,N,4,7-tetraphenyl-1,10-phenanthrolin-2-amine has a molecular weight of 1073.32 g/mol, XLogP of 20.82, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4,7-diphenyl-9-(N-phenylanilino)-1,10-phenanthrolin-2-yl]phenyl]-N,N,4,7-tetraphenyl-1,10-phenanthrolin-2-amine is sourced from PubChem (CID 59736509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).