N-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-3-phenylaniline

C32H25N — CID 153471448

IUPACN-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-3-phenylaniline
SMILESC1=Cc2c(cc(-c3cccc(Nc4cccc(-c5ccccc5)c4)c3)c3ccccc23)CC1
InChIInChI=1S/C32H25N/c1-2-10-23(11-3-1)24-13-8-15-27(20-24)33-28-16-9-14-25(21-28)32-22-26-12-4-5-17-29(26)30-18-6-7-19-31(30)32/h1-3,5-11,13-22,33H,4,12H2
InChIKeyFAZLZJAJDJBONN-UHFFFAOYSA-N
MW423.56 g/mol
LogP8.88
Rot. Bonds4

About N-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-3-phenylaniline

N-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-3-phenylaniline (PubChem CID 153471448) has the molecular formula C32H25N and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-3-phenylaniline.

Molecular Properties

Compound NameN-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-3-phenylaniline
PubChem CID153471448
Molecular FormulaC32H25N
Molecular Weight423.56 g/mol
Exact Mass423.20
IUPAC NameN-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-3-phenylaniline
SMILESC1=Cc2c(cc(-c3cccc(Nc4cccc(-c5ccccc5)c4)c3)c3ccccc23)CC1
InChIInChI=1S/C32H25N/c1-2-10-23(11-3-1)24-13-8-15-27(20-24)33-28-16-9-14-25(21-28)32-22-26-12-4-5-17-29(26)30-18-6-7-19-31(30)32/h1-3,5-11,13-22,33H,4,12H2
InChIKeyFAZLZJAJDJBONN-UHFFFAOYSA-N
XLogP8.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 58.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-N-(3-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine
CID 142614464
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
N-phenyl-3-(4-phenylphenyl)aniline
CID 58389913
3-phenanthren-9-yl-N-phenylaniline
CID 134376612
N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydrophenanthren-9-amine
CID 166660616
2-[9-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-10-(3-phenanthren-9-ylphenyl)-7,8-dihydroanthracen-2-yl]dibenzofuran
CID 146668989
9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene
CID 144568833
3,6-dibromo-9-[4-(1,2-dihydrophenanthren-9-yl)phenyl]carbazole
CID 118972219
3-N-(3-naphthalen-1-ylphenyl)-1-N-phenylbenzene-1,3-diamine
CID 139380119
heptacyclo[13.11.1.12,10.04,9.017,22.023,27.014,28]octacosa-1(27),2,4,6,8,10(28),11,13,15,17(22),20,23,25-tridecaene
CID 143133599
8-[3-(10-phenylanthracen-9-yl)phenyl]-4,11-dihydro-3H-benzo[a]carbazole
CID 144703463
N'-benzyl-N-benzylidene-3-(3-cyanophenyl)-5-(1,2-dihydrophenanthren-9-yl)benzenecarboximidamide
CID 146209674

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-3-phenylaniline?
The IUPAC name of N-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-3-phenylaniline (CID 153471448) is N-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-3-phenylaniline.
What is the SMILES notation for N-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-3-phenylaniline?
The canonical SMILES for N-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-3-phenylaniline is C1=Cc2c(cc(-c3cccc(Nc4cccc(-c5ccccc5)c4)c3)c3ccccc23)CC1.
What is the InChIKey of N-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-3-phenylaniline?
The InChIKey is FAZLZJAJDJBONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N/c1-2-10-23(11-3-1)24-13-8-15-27(20-24)33-28-16-9-14-25(21-28)32-22-26-12-4-5-17-29(26)30-18-6-7-19-31(30)32/h1-3,5-11,13-22,33H,4,12H2.
What are the key properties of N-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-3-phenylaniline?
N-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-3-phenylaniline has a molecular weight of 423.56 g/mol, XLogP of 8.88, 4 rotatable bonds, 1 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]-3-phenylaniline is sourced from PubChem (CID 153471448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).