N,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine

C40H27NO — CID 169280437

IUPACN,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3c(-c4ccccc4)c4ccccc4c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C40H27NO/c1-4-14-28(15-5-1)29-24-26-32(27-25-29)41(31-18-8-3-9-19-31)39-37(30-16-6-2-7-17-30)33-20-10-11-21-34(33)40-38(39)35-22-12-13-23-36(35)42-40/h1-27H
InChIKeyVYDQBVZZRURKLX-UHFFFAOYSA-N
MW537.66 g/mol
LogP11.54
Rot. Bonds5

About N,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine

N,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine (PubChem CID 169280437) has the molecular formula C40H27NO and a molecular weight of 537.66 g/mol. Its IUPAC name is N,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine.

Molecular Properties

Compound NameN,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine
PubChem CID169280437
Molecular FormulaC40H27NO
Molecular Weight537.66 g/mol
Exact Mass537.21
IUPAC NameN,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3c(-c4ccccc4)c4ccccc4c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C40H27NO/c1-4-14-28(15-5-1)29-24-26-32(27-25-29)41(31-18-8-3-9-19-31)39-37(30-16-6-2-7-17-30)33-20-10-11-21-34(33)40-38(39)35-22-12-13-23-36(35)42-40/h1-27H
InChIKeyVYDQBVZZRURKLX-UHFFFAOYSA-N
XLogP11.54
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.66
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-diphenyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]aniline
CID 169280400
N,N-diphenyl-6-(4-triphenylen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 169280806
N,N,12-triphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine
CID 160799750
N,N-diphenyl-4-(6-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)aniline
CID 169280672
N,4-bis(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 135277344
4-phenyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 135277582
6-[10-(4-phenylphenyl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene
CID 163460893
N-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N,4-diphenylaniline
CID 167132748
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline
CID 135277346
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-12-amine
CID 160898222
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
N,N-bis(4-phenylphenyl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-4-amine
CID 165037570

Frequently Asked Questions

What is the IUPAC name of N,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine?
The IUPAC name of N,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine (CID 169280437) is N,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine.
What is the SMILES notation for N,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine?
The canonical SMILES for N,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine is c1ccc(-c2ccc(N(c3ccccc3)c3c(-c4ccccc4)c4ccccc4c4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of N,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine?
The InChIKey is VYDQBVZZRURKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27NO/c1-4-14-28(15-5-1)29-24-26-32(27-25-29)41(31-18-8-3-9-19-31)39-37(30-16-6-2-7-17-30)33-20-10-11-21-34(33)40-38(39)35-22-12-13-23-36(35)42-40/h1-27H.
What are the key properties of N,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine?
N,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine has a molecular weight of 537.66 g/mol, XLogP of 11.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine is sourced from PubChem (CID 169280437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).