N-naphthalen-1-yl-5-phenyl-N-[2-(4-phenylcyclohexa-1,3-dien-1-yl)phenyl]-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-amine

C50H37NO — CID 170282165

IUPACN-naphthalen-1-yl-5-phenyl-N-[2-(4-phenylcyclohexa-1,3-dien-1-yl)phenyl]-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-amine
SMILESC1=C(c2ccccc2)CCC(c2ccccc2N(c2cccc3c2C2C=C(c4ccccc4)c4ccccc4C2O3)c2cccc3ccccc23)=C1
InChIInChI=1S/C50H37NO/c1-3-15-34(16-4-1)35-29-31-38(32-30-35)40-22-11-12-25-45(40)51(46-26-13-20-36-19-7-8-21-39(36)46)47-27-14-28-48-49(47)44-33-43(37-17-5-2-6-18-37)41-23-9-10-24-42(41)50(44)52-48/h1-29,31,33,44,50H,30,32H2
InChIKeyDKXQRBGLQQTXOW-UHFFFAOYSA-N
MW667.85 g/mol
LogP13.23
Rot. Bonds6

About N-naphthalen-1-yl-5-phenyl-N-[2-(4-phenylcyclohexa-1,3-dien-1-yl)phenyl]-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-amine

N-naphthalen-1-yl-5-phenyl-N-[2-(4-phenylcyclohexa-1,3-dien-1-yl)phenyl]-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 170282165) has the molecular formula C50H37NO and a molecular weight of 667.85 g/mol. Its IUPAC name is N-naphthalen-1-yl-5-phenyl-N-[2-(4-phenylcyclohexa-1,3-dien-1-yl)phenyl]-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-5-phenyl-N-[2-(4-phenylcyclohexa-1,3-dien-1-yl)phenyl]-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-amine
PubChem CID170282165
Molecular FormulaC50H37NO
Molecular Weight667.85 g/mol
Exact Mass667.29
IUPAC NameN-naphthalen-1-yl-5-phenyl-N-[2-(4-phenylcyclohexa-1,3-dien-1-yl)phenyl]-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-amine
SMILESC1=C(c2ccccc2)CCC(c2ccccc2N(c2cccc3c2C2C=C(c4ccccc4)c4ccccc4C2O3)c2cccc3ccccc23)=C1
InChIInChI=1S/C50H37NO/c1-3-15-34(16-4-1)35-29-31-38(32-30-35)40-22-11-12-25-45(40)51(46-26-13-20-36-19-7-8-21-39(36)46)47-27-14-28-48-49(47)44-33-43(37-17-5-2-6-18-37)41-23-9-10-24-42(41)50(44)52-48/h1-29,31,33,44,50H,30,32H2
InChIKeyDKXQRBGLQQTXOW-UHFFFAOYSA-N
XLogP13.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.85
LogP ≤ 513.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-naphthalen-1-yl-7-[3-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-5-amine
CID 155440723
2-[3-[5-(9,10-dihydrotriphenylen-2-yl)-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 167113751
ethane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohexa-1,3-dien-1-yl]-N-phenylnaphthalen-1-amine
CID 145000918
N-naphthalen-1-yl-8-phenyl-N-(2-phenylphenyl)naphthalen-1-amine
CID 156570934
N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline
CID 143462430
N-(2-dibenzofuran-2-ylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine
CID 167325268
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 170303000
N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 167325177
N-[2-[2-(2,3,4,5,6-pentafluoro-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2,3,4,5,6-pentafluorophenyl)naphthalen-1-amine
CID 166974148
N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-naphthalen-1-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine;methane
CID 159282486
N-phenyl-N-[2-(3-phenyl-1-benzofuran-2-yl)phenyl]naphthalen-1-amine
CID 170526305
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]cyclohexa-1,3-dien-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine
CID 160633282

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-5-phenyl-N-[2-(4-phenylcyclohexa-1,3-dien-1-yl)phenyl]-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-naphthalen-1-yl-5-phenyl-N-[2-(4-phenylcyclohexa-1,3-dien-1-yl)phenyl]-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-amine (CID 170282165) is N-naphthalen-1-yl-5-phenyl-N-[2-(4-phenylcyclohexa-1,3-dien-1-yl)phenyl]-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-naphthalen-1-yl-5-phenyl-N-[2-(4-phenylcyclohexa-1,3-dien-1-yl)phenyl]-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-naphthalen-1-yl-5-phenyl-N-[2-(4-phenylcyclohexa-1,3-dien-1-yl)phenyl]-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-amine is C1=C(c2ccccc2)CCC(c2ccccc2N(c2cccc3c2C2C=C(c4ccccc4)c4ccccc4C2O3)c2cccc3ccccc23)=C1.
What is the InChIKey of N-naphthalen-1-yl-5-phenyl-N-[2-(4-phenylcyclohexa-1,3-dien-1-yl)phenyl]-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is DKXQRBGLQQTXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37NO/c1-3-15-34(16-4-1)35-29-31-38(32-30-35)40-22-11-12-25-45(40)51(46-26-13-20-36-19-7-8-21-39(36)46)47-27-14-28-48-49(47)44-33-43(37-17-5-2-6-18-37)41-23-9-10-24-42(41)50(44)52-48/h1-29,31,33,44,50H,30,32H2.
What are the key properties of N-naphthalen-1-yl-5-phenyl-N-[2-(4-phenylcyclohexa-1,3-dien-1-yl)phenyl]-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-amine?
N-naphthalen-1-yl-5-phenyl-N-[2-(4-phenylcyclohexa-1,3-dien-1-yl)phenyl]-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 667.85 g/mol, XLogP of 13.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-5-phenyl-N-[2-(4-phenylcyclohexa-1,3-dien-1-yl)phenyl]-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 170282165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).