7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine

C46H28N2O — CID 118187034

IUPAC7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine
SMILESc1ccc(N(c2ccc3c(c2)oc2cc(-c4ccc5c(c4)c4cccc6c7ccccc7n5c64)ccc23)c2cccc3ccccc23)cc1
InChIInChI=1S/C46H28N2O/c1-2-12-32(13-3-1)47(41-19-8-11-29-10-4-5-14-34(29)41)33-22-24-37-36-23-20-31(27-44(36)49-45(37)28-33)30-21-25-43-40(26-30)39-17-9-16-38-35-15-6-7-18-42(35)48(43)46(38)39/h1-28H
InChIKeyQQFNWTTZIRFGFJ-UHFFFAOYSA-N
MW624.74 g/mol
LogP13.03
Rot. Bonds4

About 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine

7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine (PubChem CID 118187034) has the molecular formula C46H28N2O and a molecular weight of 624.74 g/mol. Its IUPAC name is 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine.

Molecular Properties

Compound Name7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine
PubChem CID118187034
Molecular FormulaC46H28N2O
Molecular Weight624.74 g/mol
Exact Mass624.22
IUPAC Name7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine
SMILESc1ccc(N(c2ccc3c(c2)oc2cc(-c4ccc5c(c4)c4cccc6c7ccccc7n5c64)ccc23)c2cccc3ccccc23)cc1
InChIInChI=1S/C46H28N2O/c1-2-12-32(13-3-1)47(41-19-8-11-29-10-4-5-14-34(29)41)33-22-24-37-36-23-20-31(27-44(36)49-45(37)28-33)30-21-25-43-40(26-30)39-17-9-16-38-35-15-6-7-18-42(35)48(43)46(38)39/h1-28H
InChIKeyQQFNWTTZIRFGFJ-UHFFFAOYSA-N
XLogP13.03
TPSA20.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.74
LogP ≤ 513.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine with MolForge

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Related Compounds

N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-7-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 118963228
N-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-11-yl)phenyl]dibenzofuran-3-amine
CID 146508585
N-[3-[3-(8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-yl)phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 170281304
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(4-phenylphenyl)aniline
CID 118963196
N,N-bis(4-naphthalen-1-ylphenyl)-4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)aniline;N-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)phenyl]dibenzofuran-3-amine;N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine;N-[3-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)pyridin-4-amine;4-phenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 162039513
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-dibenzofuran-2-yl-9-phenylcarbazol-3-amine;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-dibenzofuran-3-yl-9-phenylcarbazol-3-amine;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 158758153
N-naphthalen-1-yl-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 170272670
N-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine
CID 160891251
3-N-dibenzofuran-3-yl-3-N-naphthalen-1-yl-1-N-phenyl-1-N-(26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8(13),9,11,15(20),16,18,21,23-dodecaen-17-yl)benzene-1,3-diamine
CID 171416752
N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 129085231
N-(3-carbazol-9-ylphenyl)-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]naphthalen-1-amine
CID 148923282
N,9-diphenyl-N-[7-(11-phenylbenzo[a]carbazol-8-yl)dibenzofuran-3-yl]carbazol-2-amine
CID 167243662

Frequently Asked Questions

What is the IUPAC name of 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine?
The IUPAC name of 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine (CID 118187034) is 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine.
What is the SMILES notation for 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine?
The canonical SMILES for 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine is c1ccc(N(c2ccc3c(c2)oc2cc(-c4ccc5c(c4)c4cccc6c7ccccc7n5c64)ccc23)c2cccc3ccccc23)cc1.
What is the InChIKey of 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine?
The InChIKey is QQFNWTTZIRFGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O/c1-2-12-32(13-3-1)47(41-19-8-11-29-10-4-5-14-34(29)41)33-22-24-37-36-23-20-31(27-44(36)49-45(37)28-33)30-21-25-43-40(26-30)39-17-9-16-38-35-15-6-7-18-42(35)48(43)46(38)39/h1-28H.
What are the key properties of 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine?
7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine has a molecular weight of 624.74 g/mol, XLogP of 13.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine is sourced from PubChem (CID 118187034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).