2-N,9-N-dinaphthalen-1-yl-2-N,9-N-diphenylnaphtho[2,3-b][1]benzofuran-2,9-diamine

C48H32N2O — CID 139573022

IUPAC2-N,9-N-dinaphthalen-1-yl-2-N,9-N-diphenylnaphtho[2,3-b][1]benzofuran-2,9-diamine
SMILESc1ccc(N(c2ccc3cc4oc5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5c4cc3c2)c2cccc3ccccc23)cc1
InChIInChI=1S/C48H32N2O/c1-3-17-37(18-4-1)49(45-23-11-15-33-13-7-9-21-41(33)45)39-26-25-35-31-48-43(30-36(35)29-39)44-32-40(27-28-47(44)51-48)50(38-19-5-2-6-20-38)46-24-12-16-34-14-8-10-22-42(34)46/h1-32H
InChIKeyVBPHNMDBAGDSFQ-UHFFFAOYSA-N
MW652.80 g/mol
LogP13.99
Rot. Bonds6

About 2-N,9-N-dinaphthalen-1-yl-2-N,9-N-diphenylnaphtho[2,3-b][1]benzofuran-2,9-diamine

2-N,9-N-dinaphthalen-1-yl-2-N,9-N-diphenylnaphtho[2,3-b][1]benzofuran-2,9-diamine (PubChem CID 139573022) has the molecular formula C48H32N2O and a molecular weight of 652.80 g/mol. Its IUPAC name is 2-N,9-N-dinaphthalen-1-yl-2-N,9-N-diphenylnaphtho[2,3-b][1]benzofuran-2,9-diamine.

Molecular Properties

Compound Name2-N,9-N-dinaphthalen-1-yl-2-N,9-N-diphenylnaphtho[2,3-b][1]benzofuran-2,9-diamine
PubChem CID139573022
Molecular FormulaC48H32N2O
Molecular Weight652.80 g/mol
Exact Mass652.25
IUPAC Name2-N,9-N-dinaphthalen-1-yl-2-N,9-N-diphenylnaphtho[2,3-b][1]benzofuran-2,9-diamine
SMILESc1ccc(N(c2ccc3cc4oc5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5c4cc3c2)c2cccc3ccccc23)cc1
InChIInChI=1S/C48H32N2O/c1-3-17-37(18-4-1)49(45-23-11-15-33-13-7-9-21-41(33)45)39-26-25-35-31-48-43(30-36(35)29-39)44-32-40(27-28-47(44)51-48)50(38-19-5-2-6-20-38)46-24-12-16-34-14-8-10-22-42(34)46/h1-32H
InChIKeyVBPHNMDBAGDSFQ-UHFFFAOYSA-N
XLogP13.99
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.80
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-N,23-N-dinaphthalen-1-yl-8-N,23-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
CID 155360628
N-naphthalen-1-yl-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 170272670
N-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 170272586
7-N,17-N-diphenyl-7-N,17-N-bis(1-phenylnaphthalen-2-yl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 171728091
9-N,23-N-di(dibenzofuran-1-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 155361145
9-N,25-N-di(dibenzofuran-4-yl)-9-N,25-N-diphenyl-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,21(30),22,24,26,28,31-pentadecaene-9,25-diamine
CID 146497471
N-naphthalen-1-yl-N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzofuran-2-amine
CID 174256439
9-N,23-N-di(phenanthren-1-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(phenanthren-4-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetra(phenanthren-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 159337091
N-benzo[c]phenanthren-6-yl-N-phenylnaphtho[2,3-b][1]benzofuran-9-amine
CID 167183214
N-[4-[8-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzofuran-2-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 130438409
4-[3,5-di(dibenzofuran-2-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 160762815
N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]phenyl]-N-phenyldibenzofuran-2-amine;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 165024004

Frequently Asked Questions

What is the IUPAC name of 2-N,9-N-dinaphthalen-1-yl-2-N,9-N-diphenylnaphtho[2,3-b][1]benzofuran-2,9-diamine?
The IUPAC name of 2-N,9-N-dinaphthalen-1-yl-2-N,9-N-diphenylnaphtho[2,3-b][1]benzofuran-2,9-diamine (CID 139573022) is 2-N,9-N-dinaphthalen-1-yl-2-N,9-N-diphenylnaphtho[2,3-b][1]benzofuran-2,9-diamine.
What is the SMILES notation for 2-N,9-N-dinaphthalen-1-yl-2-N,9-N-diphenylnaphtho[2,3-b][1]benzofuran-2,9-diamine?
The canonical SMILES for 2-N,9-N-dinaphthalen-1-yl-2-N,9-N-diphenylnaphtho[2,3-b][1]benzofuran-2,9-diamine is c1ccc(N(c2ccc3cc4oc5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5c4cc3c2)c2cccc3ccccc23)cc1.
What is the InChIKey of 2-N,9-N-dinaphthalen-1-yl-2-N,9-N-diphenylnaphtho[2,3-b][1]benzofuran-2,9-diamine?
The InChIKey is VBPHNMDBAGDSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2O/c1-3-17-37(18-4-1)49(45-23-11-15-33-13-7-9-21-41(33)45)39-26-25-35-31-48-43(30-36(35)29-39)44-32-40(27-28-47(44)51-48)50(38-19-5-2-6-20-38)46-24-12-16-34-14-8-10-22-42(34)46/h1-32H.
What are the key properties of 2-N,9-N-dinaphthalen-1-yl-2-N,9-N-diphenylnaphtho[2,3-b][1]benzofuran-2,9-diamine?
2-N,9-N-dinaphthalen-1-yl-2-N,9-N-diphenylnaphtho[2,3-b][1]benzofuran-2,9-diamine has a molecular weight of 652.80 g/mol, XLogP of 13.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,9-N-dinaphthalen-1-yl-2-N,9-N-diphenylnaphtho[2,3-b][1]benzofuran-2,9-diamine is sourced from PubChem (CID 139573022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).