N-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-N-(3-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine

C56H39N — CID 142614464

IUPACN-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-N-(3-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine
SMILESC1=Cc2c(cc(-c3cccc(N(c4cccc(-c5cc6ccccc6c6ccccc56)c4)c4ccc5cc(-c6ccccc6)ccc5c4)c3)c3ccccc23)CC1
InChIInChI=1S/C56H39N/c1-2-14-38(15-3-1)39-28-29-41-33-48(31-30-40(41)32-39)57(46-20-12-18-42(34-46)55-36-44-16-4-6-22-49(44)51-24-8-10-26-53(51)55)47-21-13-19-43(35-47)56-37-45-17-5-7-23-50(45)52-25-9-11-27-54(52)56/h1-4,6-16,18-37H,5,17H2
InChIKeyHAFYYHZOLIRSSY-UHFFFAOYSA-N
MW725.94 g/mol
LogP15.73
Rot. Bonds6

About N-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-N-(3-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine

N-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-N-(3-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine (PubChem CID 142614464) has the molecular formula C56H39N and a molecular weight of 725.94 g/mol. Its IUPAC name is N-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-N-(3-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-N-(3-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine
PubChem CID142614464
Molecular FormulaC56H39N
Molecular Weight725.94 g/mol
Exact Mass725.31
IUPAC NameN-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-N-(3-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine
SMILESC1=Cc2c(cc(-c3cccc(N(c4cccc(-c5cc6ccccc6c6ccccc56)c4)c4ccc5cc(-c6ccccc6)ccc5c4)c3)c3ccccc23)CC1
InChIInChI=1S/C56H39N/c1-2-14-38(15-3-1)39-28-29-41-33-48(31-30-40(41)32-39)57(46-20-12-18-42(34-46)55-36-44-16-4-6-22-49(44)51-24-8-10-26-53(51)55)47-21-13-19-43(35-47)56-37-45-17-5-7-23-50(45)52-25-9-11-27-54(52)56/h1-4,6-16,18-37H,5,17H2
InChIKeyHAFYYHZOLIRSSY-UHFFFAOYSA-N
XLogP15.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.94
LogP ≤ 515.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-[4-(1,2-dihydrophenanthren-9-yl)phenyl]-10-naphthalen-1-ylanthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(3-phenanthren-9-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 159025961
3-naphthalen-2-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline
CID 166566627
3-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline;3-phenanthren-9-yl-N-phenyl-N-(4-phenylphenyl)aniline;N-(3-phenanthren-9-ylphenyl)-3-(3-phenylphenyl)-N-(4-phenylphenyl)aniline;3-phenanthren-9-yl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 159059412
N-(3-chrysen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline
CID 170141257
10-phenyl-N-[7-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(3-phenylphenyl)phenanthren-3-amine
CID 174257838
3-phenanthren-3-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 142614449
3-phenanthren-9-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline
CID 142614567
3-phenanthren-9-yl-N,N-bis(3-phenanthren-9-ylphenyl)aniline
CID 20735938
N-[4-[10-(5,6-dihydronaphthalen-1-yl)-2,4,7-triphenyltriphenylen-1-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 89083534
N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline;N,N-diphenyl-4-(6-picen-3-ylnaphthalen-2-yl)aniline;4-[6-(11-heptacyclo[16.12.0.02,15.03,8.09,14.019,28.022,27]triaconta-1(18),2(15),3,5,7,9(14),10,12,16,19(28),20,22,24,26,29-pentadecaenyl)naphthalen-2-yl]-N,N-diphenylaniline;4-[6-(9-hexacyclo[12.12.0.02,11.03,8.015,24.018,23]hexacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22,25-tridecaenyl)naphthalen-2-yl]-N,N-diphenylaniline
CID 158486221
3-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 142614555
N-(4-tert-butylphenyl)-6-[8-(5,6-dihydronaphthalen-2-yl)benzo[c]phenanthren-5-yl]-N-phenylnaphthalen-2-amine
CID 89086114

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-N-(3-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine?
The IUPAC name of N-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-N-(3-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine (CID 142614464) is N-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-N-(3-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-N-(3-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine?
The canonical SMILES for N-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-N-(3-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine is C1=Cc2c(cc(-c3cccc(N(c4cccc(-c5cc6ccccc6c6ccccc56)c4)c4ccc5cc(-c6ccccc6)ccc5c4)c3)c3ccccc23)CC1.
What is the InChIKey of N-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-N-(3-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine?
The InChIKey is HAFYYHZOLIRSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N/c1-2-14-38(15-3-1)39-28-29-41-33-48(31-30-40(41)32-39)57(46-20-12-18-42(34-46)55-36-44-16-4-6-22-49(44)51-24-8-10-26-53(51)55)47-21-13-19-43(35-47)56-37-45-17-5-7-23-50(45)52-25-9-11-27-54(52)56/h1-4,6-16,18-37H,5,17H2.
What are the key properties of N-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-N-(3-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine?
N-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-N-(3-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine has a molecular weight of 725.94 g/mol, XLogP of 15.73, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-N-(3-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine is sourced from PubChem (CID 142614464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).