9-N-[4-[7-[[10-(dinaphthalen-2-ylamino)-6-phenyl-3,4-dihydroanthracen-9-yl]-naphthalen-2-ylamino]naphthalen-2-yl]phenyl]-9-N,10-N,10-N,2-tetraphenylanthracene-9,10-diamine

C104H72N4 — CID 91240988

IUPAC9-N-[4-[7-[[10-(dinaphthalen-2-ylamino)-6-phenyl-3,4-dihydroanthracen-9-yl]-naphthalen-2-ylamino]naphthalen-2-yl]phenyl]-9-N,10-N,10-N,2-tetraphenylanthracene-9,10-diamine
SMILESC1=Cc2c(c(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)c3cc(-c4ccccc4)ccc3c2N(c2ccc3ccccc3c2)c2ccc3ccc(-c4ccc(N(c5ccccc5)c5c6ccccc6c(N(c6ccccc6)c6ccccc6)c6ccc(-c7ccccc7)cc56)cc4)cc3c2)CC1
InChIInChI=1S/C104H72N4/c1-6-26-71(27-7-1)82-54-62-97-99(69-82)103(95-44-24-22-42-93(95)101(97)105(85-36-10-3-11-37-85)86-38-12-4-13-39-86)106(87-40-14-5-15-41-87)88-56-48-76(49-57-88)81-47-46-77-53-61-92(68-84(77)64-81)107(89-58-50-73-30-16-19-33-78(73)65-89)102-94-43-23-25-45-96(94)104(100-70-83(55-63-98(100)102)72-28-8-2-9-29-72)108(90-59-51-74-31-17-20-34-79(74)66-90)91-60-52-75-32-18-21-35-80(75)67-91/h1-24,26-44,46-70H,25,45H2
InChIKeyPLXOUBKWEJMUOV-UHFFFAOYSA-N
MW1377.75 g/mol
LogP29.60
Rot. Bonds15

About 9-N-[4-[7-[[10-(dinaphthalen-2-ylamino)-6-phenyl-3,4-dihydroanthracen-9-yl]-naphthalen-2-ylamino]naphthalen-2-yl]phenyl]-9-N,10-N,10-N,2-tetraphenylanthracene-9,10-diamine

9-N-[4-[7-[[10-(dinaphthalen-2-ylamino)-6-phenyl-3,4-dihydroanthracen-9-yl]-naphthalen-2-ylamino]naphthalen-2-yl]phenyl]-9-N,10-N,10-N,2-tetraphenylanthracene-9,10-diamine (PubChem CID 91240988) has the molecular formula C104H72N4 and a molecular weight of 1377.75 g/mol. Its IUPAC name is 9-N-[4-[7-[[10-(dinaphthalen-2-ylamino)-6-phenyl-3,4-dihydroanthracen-9-yl]-naphthalen-2-ylamino]naphthalen-2-yl]phenyl]-9-N,10-N,10-N,2-tetraphenylanthracene-9,10-diamine.

Molecular Properties

Compound Name9-N-[4-[7-[[10-(dinaphthalen-2-ylamino)-6-phenyl-3,4-dihydroanthracen-9-yl]-naphthalen-2-ylamino]naphthalen-2-yl]phenyl]-9-N,10-N,10-N,2-tetraphenylanthracene-9,10-diamine
PubChem CID91240988
Molecular FormulaC104H72N4
Molecular Weight1377.75 g/mol
Exact Mass1376.58
IUPAC Name9-N-[4-[7-[[10-(dinaphthalen-2-ylamino)-6-phenyl-3,4-dihydroanthracen-9-yl]-naphthalen-2-ylamino]naphthalen-2-yl]phenyl]-9-N,10-N,10-N,2-tetraphenylanthracene-9,10-diamine
SMILESC1=Cc2c(c(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)c3cc(-c4ccccc4)ccc3c2N(c2ccc3ccccc3c2)c2ccc3ccc(-c4ccc(N(c5ccccc5)c5c6ccccc6c(N(c6ccccc6)c6ccccc6)c6ccc(-c7ccccc7)cc56)cc4)cc3c2)CC1
InChIInChI=1S/C104H72N4/c1-6-26-71(27-7-1)82-54-62-97-99(69-82)103(95-44-24-22-42-93(95)101(97)105(85-36-10-3-11-37-85)86-38-12-4-13-39-86)106(87-40-14-5-15-41-87)88-56-48-76(49-57-88)81-47-46-77-53-61-92(68-84(77)64-81)107(89-58-50-73-30-16-19-33-78(73)65-89)102-94-43-23-25-45-96(94)104(100-70-83(55-63-98(100)102)72-28-8-2-9-29-72)108(90-59-51-74-31-17-20-34-79(74)66-90)91-60-52-75-32-18-21-35-80(75)67-91/h1-24,26-44,46-70H,25,45H2
InChIKeyPLXOUBKWEJMUOV-UHFFFAOYSA-N
XLogP29.60
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001377.75
LogP ≤ 529.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-N-[4-[7-[[10-(dinaphthalen-2-ylamino)-6-phenyl-3,4-dihydroanthracen-9-yl]-naphthalen-2-ylamino]naphthalen-2-yl]phenyl]-9-N,10-N,10-N,2-tetraphenylanthracene-9,10-diamine with MolForge

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Related Compounds

9-N-naphthalen-2-yl-9-N,10-N,10-N,6-tetraphenyl-1,2-dihydroanthracene-9,10-diamine
CID 70881589
9-N,10-N-di(dibenzofuran-3-yl)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine
CID 89254148
10-N-cyclohexa-1,5-dien-1-yl-9-N,9-N,10-N,2-tetraphenylanthracene-9,10-diamine
CID 89189854
10-methyl-N-naphthalen-2-yl-N-(4-phenylphenyl)anthracen-9-amine
CID 143494684
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-naphthalen-2-yl-6-phenylnaphthalen-2-amine
CID 167183089
N-(4-benzo[c]phenanthren-2-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
CID 167183091
N-phenyl-7-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166916774
N-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-N-(3-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine
CID 142614464
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenylnaphthalen-2-amine
CID 167183726
4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;9-N,9-N-diphenyl-10-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine
CID 159721298
1-N-(7,8-dihydronaphthalen-2-yl)-4-N-naphthalen-2-yl-1-N,4-N-bis(4-phenylphenyl)-5,6-dihydronaphthalene-1,4-diamine
CID 143254534
9-(7-naphthalen-2-ylnaphthalen-2-yl)-N-phenyl-N-triphenylen-2-yl-5,6-dihydrocarbazol-2-amine
CID 135128967

Frequently Asked Questions

What is the IUPAC name of 9-N-[4-[7-[[10-(dinaphthalen-2-ylamino)-6-phenyl-3,4-dihydroanthracen-9-yl]-naphthalen-2-ylamino]naphthalen-2-yl]phenyl]-9-N,10-N,10-N,2-tetraphenylanthracene-9,10-diamine?
The IUPAC name of 9-N-[4-[7-[[10-(dinaphthalen-2-ylamino)-6-phenyl-3,4-dihydroanthracen-9-yl]-naphthalen-2-ylamino]naphthalen-2-yl]phenyl]-9-N,10-N,10-N,2-tetraphenylanthracene-9,10-diamine (CID 91240988) is 9-N-[4-[7-[[10-(dinaphthalen-2-ylamino)-6-phenyl-3,4-dihydroanthracen-9-yl]-naphthalen-2-ylamino]naphthalen-2-yl]phenyl]-9-N,10-N,10-N,2-tetraphenylanthracene-9,10-diamine.
What is the SMILES notation for 9-N-[4-[7-[[10-(dinaphthalen-2-ylamino)-6-phenyl-3,4-dihydroanthracen-9-yl]-naphthalen-2-ylamino]naphthalen-2-yl]phenyl]-9-N,10-N,10-N,2-tetraphenylanthracene-9,10-diamine?
The canonical SMILES for 9-N-[4-[7-[[10-(dinaphthalen-2-ylamino)-6-phenyl-3,4-dihydroanthracen-9-yl]-naphthalen-2-ylamino]naphthalen-2-yl]phenyl]-9-N,10-N,10-N,2-tetraphenylanthracene-9,10-diamine is C1=Cc2c(c(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)c3cc(-c4ccccc4)ccc3c2N(c2ccc3ccccc3c2)c2ccc3ccc(-c4ccc(N(c5ccccc5)c5c6ccccc6c(N(c6ccccc6)c6ccccc6)c6ccc(-c7ccccc7)cc56)cc4)cc3c2)CC1.
What is the InChIKey of 9-N-[4-[7-[[10-(dinaphthalen-2-ylamino)-6-phenyl-3,4-dihydroanthracen-9-yl]-naphthalen-2-ylamino]naphthalen-2-yl]phenyl]-9-N,10-N,10-N,2-tetraphenylanthracene-9,10-diamine?
The InChIKey is PLXOUBKWEJMUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H72N4/c1-6-26-71(27-7-1)82-54-62-97-99(69-82)103(95-44-24-22-42-93(95)101(97)105(85-36-10-3-11-37-85)86-38-12-4-13-39-86)106(87-40-14-5-15-41-87)88-56-48-76(49-57-88)81-47-46-77-53-61-92(68-84(77)64-81)107(89-58-50-73-30-16-19-33-78(73)65-89)102-94-43-23-25-45-96(94)104(100-70-83(55-63-98(100)102)72-28-8-2-9-29-72)108(90-59-51-74-31-17-20-34-79(74)66-90)91-60-52-75-32-18-21-35-80(75)67-91/h1-24,26-44,46-70H,25,45H2.
What are the key properties of 9-N-[4-[7-[[10-(dinaphthalen-2-ylamino)-6-phenyl-3,4-dihydroanthracen-9-yl]-naphthalen-2-ylamino]naphthalen-2-yl]phenyl]-9-N,10-N,10-N,2-tetraphenylanthracene-9,10-diamine?
9-N-[4-[7-[[10-(dinaphthalen-2-ylamino)-6-phenyl-3,4-dihydroanthracen-9-yl]-naphthalen-2-ylamino]naphthalen-2-yl]phenyl]-9-N,10-N,10-N,2-tetraphenylanthracene-9,10-diamine has a molecular weight of 1377.75 g/mol, XLogP of 29.60, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N-[4-[7-[[10-(dinaphthalen-2-ylamino)-6-phenyl-3,4-dihydroanthracen-9-yl]-naphthalen-2-ylamino]naphthalen-2-yl]phenyl]-9-N,10-N,10-N,2-tetraphenylanthracene-9,10-diamine is sourced from PubChem (CID 91240988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).