5-N,5-N,9-N,9-N-tetrakis(2-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine

C44H36N2O — CID 130387463

IUPAC5-N,5-N,9-N,9-N-tetrakis(2-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine
SMILESCc1ccccc1N(c1ccc2c(c1)oc1cc(N(c3ccccc3C)c3ccccc3C)c3ccccc3c12)c1ccccc1C
InChIInChI=1S/C44H36N2O/c1-29-15-5-11-21-37(29)45(38-22-12-6-16-30(38)2)33-25-26-36-42(27-33)47-43-28-41(34-19-9-10-20-35(34)44(36)43)46(39-23-13-7-17-31(39)3)40-24-14-8-18-32(40)4/h5-28H,1-4H3
InChIKeyMORBRGYBGCDAED-UHFFFAOYSA-N
MW608.79 g/mol
LogP12.91
Rot. Bonds6

About 5-N,5-N,9-N,9-N-tetrakis(2-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine

5-N,5-N,9-N,9-N-tetrakis(2-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine (PubChem CID 130387463) has the molecular formula C44H36N2O and a molecular weight of 608.79 g/mol. Its IUPAC name is 5-N,5-N,9-N,9-N-tetrakis(2-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine.

Molecular Properties

Compound Name5-N,5-N,9-N,9-N-tetrakis(2-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine
PubChem CID130387463
Molecular FormulaC44H36N2O
Molecular Weight608.79 g/mol
Exact Mass608.28
IUPAC Name5-N,5-N,9-N,9-N-tetrakis(2-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine
SMILESCc1ccccc1N(c1ccc2c(c1)oc1cc(N(c3ccccc3C)c3ccccc3C)c3ccccc3c12)c1ccccc1C
InChIInChI=1S/C44H36N2O/c1-29-15-5-11-21-37(29)45(38-22-12-6-16-30(38)2)33-25-26-36-42(27-33)47-43-28-41(34-19-9-10-20-35(34)44(36)43)46(39-23-13-7-17-31(39)3)40-24-14-8-18-32(40)4/h5-28H,1-4H3
InChIKeyMORBRGYBGCDAED-UHFFFAOYSA-N
XLogP12.91
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.79
LogP ≤ 512.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine
CID 130387466
5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine
CID 160511447
6-N,17-N-di(dibenzofuran-3-yl)-6-N,17-N-bis(2-methylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
CID 166033290
9-N,9-N,15-N,15-N-tetrakis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90263216
9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90263285
9-N,9-N,15-N,15-N-tetrakis(3-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90263218
14-N,31-N-bis(4-tert-butylphenyl)-14-N,31-N-bis(2-methylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine
CID 134561116
9-N,15-N-bis(6-methyldibenzofuran-4-yl)-9-N,15-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90263298
6-N,25-N-bis(3,4-dimethylphenyl)-6-N,25-N-bis(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine
CID 155360251
9-N,20-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,20-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine
CID 90263039
11-N,21-N-di(dibenzofuran-2-yl)-11-N,21-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine
CID 155360854
N-(2-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 167087254

Frequently Asked Questions

What is the IUPAC name of 5-N,5-N,9-N,9-N-tetrakis(2-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine?
The IUPAC name of 5-N,5-N,9-N,9-N-tetrakis(2-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine (CID 130387463) is 5-N,5-N,9-N,9-N-tetrakis(2-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine.
What is the SMILES notation for 5-N,5-N,9-N,9-N-tetrakis(2-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine?
The canonical SMILES for 5-N,5-N,9-N,9-N-tetrakis(2-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine is Cc1ccccc1N(c1ccc2c(c1)oc1cc(N(c3ccccc3C)c3ccccc3C)c3ccccc3c12)c1ccccc1C.
What is the InChIKey of 5-N,5-N,9-N,9-N-tetrakis(2-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine?
The InChIKey is MORBRGYBGCDAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36N2O/c1-29-15-5-11-21-37(29)45(38-22-12-6-16-30(38)2)33-25-26-36-42(27-33)47-43-28-41(34-19-9-10-20-35(34)44(36)43)46(39-23-13-7-17-31(39)3)40-24-14-8-18-32(40)4/h5-28H,1-4H3.
What are the key properties of 5-N,5-N,9-N,9-N-tetrakis(2-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine?
5-N,5-N,9-N,9-N-tetrakis(2-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine has a molecular weight of 608.79 g/mol, XLogP of 12.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N,9-N,9-N-tetrakis(2-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine is sourced from PubChem (CID 130387463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).