1-N,6-N-di(isoquinolin-1-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,8-N-di(isoquinolin-1-yl)-1-N,8-N-diphenylpyrene-1,8-diamine;1-N,8-N-diphenyl-1-N,8-N-di(quinolin-2-yl)pyrene-1,8-diamine;4-N,9-N-diphenyl-4-N,9-N-di(quinolin-2-yl)pyrene-4,9-diamine;ethane

C200H168N16 — CID 159936889

IUPAC1-N,6-N-di(isoquinolin-1-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,8-N-di(isoquinolin-1-yl)-1-N,8-N-diphenylpyrene-1,8-diamine;1-N,8-N-diphenyl-1-N,8-N-di(quinolin-2-yl)pyrene-1,8-diamine;4-N,9-N-diphenyl-4-N,9-N-di(quinolin-2-yl)pyrene-4,9-diamine;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.c1ccc(N(c2ccc3ccccc3n2)c2cc3cccc4c(N(c5ccccc5)c5ccc6ccccc6n5)cc5cccc2c5c34)cc1.c1ccc(N(c2ccc3ccccc3n2)c2ccc3ccc4ccc(N(c5ccccc5)c5ccc6ccccc6n5)c5ccc2c3c45)cc1.c1ccc(N(c2nccc3ccccc23)c2ccc3ccc4c(N(c5ccccc5)c5nccc6ccccc56)ccc5ccc2c3c54)cc1.c1ccc(N(c2nccc3ccccc23)c2ccc3ccc4ccc(N(c5ccccc5)c5nccc6ccccc56)c5ccc2c3c45)cc1
InChIInChI=1S/4C46H30N4.8C2H6/c1-3-17-35(18-4-1)49(43-27-25-31-13-7-9-23-39(31)47-43)41-29-33-15-12-22-38-42(30-34-16-11-21-37(41)45(34)46(33)38)50(36-19-5-2-6-20-36)44-28-26-32-14-8-10-24-40(32)48-44;1-3-13-35(14-4-1)49(45-37-17-9-7-11-31(37)27-29-47-45)41-25-21-33-20-24-40-42(26-22-34-19-23-39(41)43(33)44(34)40)50(36-15-5-2-6-16-36)46-38-18-10-8-12-32(38)28-30-48-46;1-3-13-35(14-4-1)49(43-29-23-31-11-7-9-17-39(31)47-43)41-27-21-33-19-20-34-22-28-42(38-26-25-37(41)45(33)46(34)38)50(36-15-5-2-6-16-36)44-30-24-32-12-8-10-18-40(32)48-44;1-3-13-35(14-4-1)49(45-37-17-9-7-11-31(37)27-29-47-45)41-25-21-33-19-20-34-22-26-42(40-24-23-39(41)43(33)44(34)40)50(36-15-5-2-6-16-36)46-38-18-10-8-12-32(38)28-30-48-46;8*1-2/h4*1-30H;8*1-2H3
InChIKeyOAJCWCZPOONJBV-UHFFFAOYSA-N
MW2795.66 g/mol
LogP58.69
Rot. Bonds24

About 1-N,6-N-di(isoquinolin-1-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,8-N-di(isoquinolin-1-yl)-1-N,8-N-diphenylpyrene-1,8-diamine;1-N,8-N-diphenyl-1-N,8-N-di(quinolin-2-yl)pyrene-1,8-diamine;4-N,9-N-diphenyl-4-N,9-N-di(quinolin-2-yl)pyrene-4,9-diamine;ethane

1-N,6-N-di(isoquinolin-1-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,8-N-di(isoquinolin-1-yl)-1-N,8-N-diphenylpyrene-1,8-diamine;1-N,8-N-diphenyl-1-N,8-N-di(quinolin-2-yl)pyrene-1,8-diamine;4-N,9-N-diphenyl-4-N,9-N-di(quinolin-2-yl)pyrene-4,9-diamine;ethane (PubChem CID 159936889) has the molecular formula C200H168N16 and a molecular weight of 2795.66 g/mol. Its IUPAC name is 1-N,6-N-di(isoquinolin-1-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,8-N-di(isoquinolin-1-yl)-1-N,8-N-diphenylpyrene-1,8-diamine;1-N,8-N-diphenyl-1-N,8-N-di(quinolin-2-yl)pyrene-1,8-diamine;4-N,9-N-diphenyl-4-N,9-N-di(quinolin-2-yl)pyrene-4,9-diamine;ethane.

Molecular Properties

Compound Name1-N,6-N-di(isoquinolin-1-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,8-N-di(isoquinolin-1-yl)-1-N,8-N-diphenylpyrene-1,8-diamine;1-N,8-N-diphenyl-1-N,8-N-di(quinolin-2-yl)pyrene-1,8-diamine;4-N,9-N-diphenyl-4-N,9-N-di(quinolin-2-yl)pyrene-4,9-diamine;ethane
PubChem CID159936889
Molecular FormulaC200H168N16
Molecular Weight2795.66 g/mol
Exact Mass2793.36
IUPAC Name1-N,6-N-di(isoquinolin-1-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,8-N-di(isoquinolin-1-yl)-1-N,8-N-diphenylpyrene-1,8-diamine;1-N,8-N-diphenyl-1-N,8-N-di(quinolin-2-yl)pyrene-1,8-diamine;4-N,9-N-diphenyl-4-N,9-N-di(quinolin-2-yl)pyrene-4,9-diamine;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.c1ccc(N(c2ccc3ccccc3n2)c2cc3cccc4c(N(c5ccccc5)c5ccc6ccccc6n5)cc5cccc2c5c34)cc1.c1ccc(N(c2ccc3ccccc3n2)c2ccc3ccc4ccc(N(c5ccccc5)c5ccc6ccccc6n5)c5ccc2c3c45)cc1.c1ccc(N(c2nccc3ccccc23)c2ccc3ccc4c(N(c5ccccc5)c5nccc6ccccc56)ccc5ccc2c3c54)cc1.c1ccc(N(c2nccc3ccccc23)c2ccc3ccc4ccc(N(c5ccccc5)c5nccc6ccccc56)c5ccc2c3c45)cc1
InChIInChI=1S/4C46H30N4.8C2H6/c1-3-17-35(18-4-1)49(43-27-25-31-13-7-9-23-39(31)47-43)41-29-33-15-12-22-38-42(30-34-16-11-21-37(41)45(34)46(33)38)50(36-19-5-2-6-20-36)44-28-26-32-14-8-10-24-40(32)48-44;1-3-13-35(14-4-1)49(45-37-17-9-7-11-31(37)27-29-47-45)41-25-21-33-20-24-40-42(26-22-34-19-23-39(41)43(33)44(34)40)50(36-15-5-2-6-16-36)46-38-18-10-8-12-32(38)28-30-48-46;1-3-13-35(14-4-1)49(43-29-23-31-11-7-9-17-39(31)47-43)41-27-21-33-19-20-34-22-28-42(38-26-25-37(41)45(33)46(34)38)50(36-15-5-2-6-16-36)44-30-24-32-12-8-10-18-40(32)48-44;1-3-13-35(14-4-1)49(45-37-17-9-7-11-31(37)27-29-47-45)41-25-21-33-19-20-34-22-26-42(40-24-23-39(41)43(33)44(34)40)50(36-15-5-2-6-16-36)46-38-18-10-8-12-32(38)28-30-48-46;8*1-2/h4*1-30H;8*1-2H3
InChIKeyOAJCWCZPOONJBV-UHFFFAOYSA-N
XLogP58.69
TPSA129.04 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms216
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002795.66
LogP ≤ 558.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 1-N,6-N-di(isoquinolin-1-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,8-N-di(isoquinolin-1-yl)-1-N,8-N-diphenylpyrene-1,8-diamine;1-N,8-N-diphenyl-1-N,8-N-di(quinolin-2-yl)pyrene-1,8-diamine;4-N,9-N-diphenyl-4-N,9-N-di(quinolin-2-yl)pyrene-4,9-diamine;ethane with MolForge

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Related Compounds

4-N,9-N-diphenyl-4-N,9-N-di(quinolin-2-yl)pyrene-4,9-diamine
CID 59309001
1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
CID 23019723
N-benzo[c]phenanthren-6-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine
CID 166861629
1-N,1-N,3-N,3-N,6-N,6-N-hexanaphthalen-1-ylpyrene-1,3,6-triamine
CID 176881422
6-N,6-N-diphenyl-1-N,1-N-dipyridin-2-ylpyrene-1,6-diamine
CID 90756676
4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine
CID 59309126
1-N-(3-methylphenyl)-1-N,6-N,6-N-triphenylpyrene-1,6-diamine
CID 143254467
1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 59260496
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]pyren-1-amine
CID 59165153
N-(4-chlorophenyl)-N-phenylpyren-1-amine
CID 88558472
4-N,9-N-bis(1,3-benzoxazol-2-yl)-4-N,9-N-diphenylpyrene-4,9-diamine
CID 174313126
N-phenyl-N-pyren-4-yl-7-triphenylsilylpyren-2-amine
CID 90164557

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-di(isoquinolin-1-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,8-N-di(isoquinolin-1-yl)-1-N,8-N-diphenylpyrene-1,8-diamine;1-N,8-N-diphenyl-1-N,8-N-di(quinolin-2-yl)pyrene-1,8-diamine;4-N,9-N-diphenyl-4-N,9-N-di(quinolin-2-yl)pyrene-4,9-diamine;ethane?
The IUPAC name of 1-N,6-N-di(isoquinolin-1-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,8-N-di(isoquinolin-1-yl)-1-N,8-N-diphenylpyrene-1,8-diamine;1-N,8-N-diphenyl-1-N,8-N-di(quinolin-2-yl)pyrene-1,8-diamine;4-N,9-N-diphenyl-4-N,9-N-di(quinolin-2-yl)pyrene-4,9-diamine;ethane (CID 159936889) is 1-N,6-N-di(isoquinolin-1-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,8-N-di(isoquinolin-1-yl)-1-N,8-N-diphenylpyrene-1,8-diamine;1-N,8-N-diphenyl-1-N,8-N-di(quinolin-2-yl)pyrene-1,8-diamine;4-N,9-N-diphenyl-4-N,9-N-di(quinolin-2-yl)pyrene-4,9-diamine;ethane.
What is the SMILES notation for 1-N,6-N-di(isoquinolin-1-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,8-N-di(isoquinolin-1-yl)-1-N,8-N-diphenylpyrene-1,8-diamine;1-N,8-N-diphenyl-1-N,8-N-di(quinolin-2-yl)pyrene-1,8-diamine;4-N,9-N-diphenyl-4-N,9-N-di(quinolin-2-yl)pyrene-4,9-diamine;ethane?
The canonical SMILES for 1-N,6-N-di(isoquinolin-1-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,8-N-di(isoquinolin-1-yl)-1-N,8-N-diphenylpyrene-1,8-diamine;1-N,8-N-diphenyl-1-N,8-N-di(quinolin-2-yl)pyrene-1,8-diamine;4-N,9-N-diphenyl-4-N,9-N-di(quinolin-2-yl)pyrene-4,9-diamine;ethane is CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(N(c2ccc3ccccc3n2)c2cc3cccc4c(N(c5ccccc5)c5ccc6ccccc6n5)cc5cccc2c5c34)cc1.c1ccc(N(c2ccc3ccccc3n2)c2ccc3ccc4ccc(N(c5ccccc5)c5ccc6ccccc6n5)c5ccc2c3c45)cc1.c1ccc(N(c2nccc3ccccc23)c2ccc3ccc4c(N(c5ccccc5)c5nccc6ccccc56)ccc5ccc2c3c54)cc1.c1ccc(N(c2nccc3ccccc23)c2ccc3ccc4ccc(N(c5ccccc5)c5nccc6ccccc56)c5ccc2c3c45)cc1.
What is the InChIKey of 1-N,6-N-di(isoquinolin-1-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,8-N-di(isoquinolin-1-yl)-1-N,8-N-diphenylpyrene-1,8-diamine;1-N,8-N-diphenyl-1-N,8-N-di(quinolin-2-yl)pyrene-1,8-diamine;4-N,9-N-diphenyl-4-N,9-N-di(quinolin-2-yl)pyrene-4,9-diamine;ethane?
The InChIKey is OAJCWCZPOONJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/4C46H30N4.8C2H6/c1-3-17-35(18-4-1)49(43-27-25-31-13-7-9-23-39(31)47-43)41-29-33-15-12-22-38-42(30-34-16-11-21-37(41)45(34)46(33)38)50(36-19-5-2-6-20-36)44-28-26-32-14-8-10-24-40(32)48-44;1-3-13-35(14-4-1)49(45-37-17-9-7-11-31(37)27-29-47-45)41-25-21-33-20-24-40-42(26-22-34-19-23-39(41)43(33)44(34)40)50(36-15-5-2-6-16-36)46-38-18-10-8-12-32(38)28-30-48-46;1-3-13-35(14-4-1)49(43-29-23-31-11-7-9-17-39(31)47-43)41-27-21-33-19-20-34-22-28-42(38-26-25-37(41)45(33)46(34)38)50(36-15-5-2-6-16-36)44-30-24-32-12-8-10-18-40(32)48-44;1-3-13-35(14-4-1)49(45-37-17-9-7-11-31(37)27-29-47-45)41-25-21-33-19-20-34-22-26-42(40-24-23-39(41)43(33)44(34)40)50(36-15-5-2-6-16-36)46-38-18-10-8-12-32(38)28-30-48-46;8*1-2/h4*1-30H;8*1-2H3.
What are the key properties of 1-N,6-N-di(isoquinolin-1-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,8-N-di(isoquinolin-1-yl)-1-N,8-N-diphenylpyrene-1,8-diamine;1-N,8-N-diphenyl-1-N,8-N-di(quinolin-2-yl)pyrene-1,8-diamine;4-N,9-N-diphenyl-4-N,9-N-di(quinolin-2-yl)pyrene-4,9-diamine;ethane?
1-N,6-N-di(isoquinolin-1-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,8-N-di(isoquinolin-1-yl)-1-N,8-N-diphenylpyrene-1,8-diamine;1-N,8-N-diphenyl-1-N,8-N-di(quinolin-2-yl)pyrene-1,8-diamine;4-N,9-N-diphenyl-4-N,9-N-di(quinolin-2-yl)pyrene-4,9-diamine;ethane has a molecular weight of 2795.66 g/mol, XLogP of 58.69, 24 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-di(isoquinolin-1-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,8-N-di(isoquinolin-1-yl)-1-N,8-N-diphenylpyrene-1,8-diamine;1-N,8-N-diphenyl-1-N,8-N-di(quinolin-2-yl)pyrene-1,8-diamine;4-N,9-N-diphenyl-4-N,9-N-di(quinolin-2-yl)pyrene-4,9-diamine;ethane is sourced from PubChem (CID 159936889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).