N-chrysen-1-yl-N-dibenzofuran-2-yldibenzofuran-2-amine;N-chrysen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-chrysen-3-yl-N-(2-phenylphenyl)dibenzofuran-2-amine

C126H79N3O4 — CID 165048813

IUPACN-chrysen-1-yl-N-dibenzofuran-2-yldibenzofuran-2-amine;N-chrysen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-chrysen-3-yl-N-(2-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3cccc4c3ccc3c5ccccc5ccc43)cc2)cc1.c1ccc(-c2ccccc2N(c2ccc3ccc4c5ccccc5ccc4c3c2)c2ccc3oc4ccccc4c3c2)cc1.c1ccc2c(c1)ccc1c3cccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5oc6ccccc6c5c4)c3ccc21
InChIInChI=1S/C42H25NO2.2C42H27NO/c1-2-9-29-26(8-1)16-19-32-30-12-7-13-38(33(30)21-20-31(29)32)43(27-17-22-41-36(24-27)34-10-3-5-14-39(34)44-41)28-18-23-42-37(25-28)35-11-4-6-15-40(35)45-42;1-2-10-28(11-3-1)34-14-6-8-16-40(34)43(32-22-25-42-39(27-32)37-15-7-9-17-41(37)44-42)31-21-18-30-20-23-35-33-13-5-4-12-29(33)19-24-36(35)38(30)26-31;1-2-9-28(10-3-1)29-17-20-31(21-18-29)43(32-22-26-42-39(27-32)38-13-6-7-16-41(38)44-42)40-15-8-14-34-36-23-19-30-11-4-5-12-33(30)35(36)24-25-37(34)40/h1-25H;2*1-27H
InChIKeyPIJNCNALBMLMAB-UHFFFAOYSA-N
MW1699.03 g/mol
LogP36.78
Rot. Bonds11

About N-chrysen-1-yl-N-dibenzofuran-2-yldibenzofuran-2-amine;N-chrysen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-chrysen-3-yl-N-(2-phenylphenyl)dibenzofuran-2-amine

N-chrysen-1-yl-N-dibenzofuran-2-yldibenzofuran-2-amine;N-chrysen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-chrysen-3-yl-N-(2-phenylphenyl)dibenzofuran-2-amine (PubChem CID 165048813) has the molecular formula C126H79N3O4 and a molecular weight of 1699.03 g/mol. Its IUPAC name is N-chrysen-1-yl-N-dibenzofuran-2-yldibenzofuran-2-amine;N-chrysen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-chrysen-3-yl-N-(2-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-chrysen-1-yl-N-dibenzofuran-2-yldibenzofuran-2-amine;N-chrysen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-chrysen-3-yl-N-(2-phenylphenyl)dibenzofuran-2-amine
PubChem CID165048813
Molecular FormulaC126H79N3O4
Molecular Weight1699.03 g/mol
Exact Mass1697.61
IUPAC NameN-chrysen-1-yl-N-dibenzofuran-2-yldibenzofuran-2-amine;N-chrysen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-chrysen-3-yl-N-(2-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3cccc4c3ccc3c5ccccc5ccc43)cc2)cc1.c1ccc(-c2ccccc2N(c2ccc3ccc4c5ccccc5ccc4c3c2)c2ccc3oc4ccccc4c3c2)cc1.c1ccc2c(c1)ccc1c3cccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5oc6ccccc6c5c4)c3ccc21
InChIInChI=1S/C42H25NO2.2C42H27NO/c1-2-9-29-26(8-1)16-19-32-30-12-7-13-38(33(30)21-20-31(29)32)43(27-17-22-41-36(24-27)34-10-3-5-14-39(34)44-41)28-18-23-42-37(25-28)35-11-4-6-15-40(35)45-42;1-2-10-28(11-3-1)34-14-6-8-16-40(34)43(32-22-25-42-39(27-32)37-15-7-9-17-41(37)44-42)31-21-18-30-20-23-35-33-13-5-4-12-29(33)19-24-36(35)38(30)26-31;1-2-9-28(10-3-1)29-17-20-31(21-18-29)43(32-22-26-42-39(27-32)38-13-6-7-16-41(38)44-42)40-15-8-14-34-36-23-19-30-11-4-5-12-33(30)35(36)24-25-37(34)40/h1-25H;2*1-27H
InChIKeyPIJNCNALBMLMAB-UHFFFAOYSA-N
XLogP36.78
TPSA62.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001699.03
LogP ≤ 536.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 167182926
N-chrysen-1-yl-N-(3,4-diphenylphenyl)dibenzofuran-2-amine
CID 170138112
N-phenanthren-1-yl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]dibenzofuran-2-amine
CID 176820979
N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167235297
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)dibenzofuran-2-amine
CID 169062264
N-(4-dibenzofuran-2-ylphenyl)-2-phenanthren-2-yl-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-3-(3-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-3-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenanthren-2-ylphenyl)phenyl]-4-phenylaniline
CID 157300254
N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)-N-(2-phenylphenyl)phenanthren-3-amine
CID 170031062
3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(2-phenylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 162770449
N-[4-(3-naphtho[2,1-b][1]benzofuran-2-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 170127479
N-(5-naphthalen-1-yl-2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 167234918
N-(7-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 177100194
N-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)chrysen-1-amine
CID 170137895

Frequently Asked Questions

What is the IUPAC name of N-chrysen-1-yl-N-dibenzofuran-2-yldibenzofuran-2-amine;N-chrysen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-chrysen-3-yl-N-(2-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-chrysen-1-yl-N-dibenzofuran-2-yldibenzofuran-2-amine;N-chrysen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-chrysen-3-yl-N-(2-phenylphenyl)dibenzofuran-2-amine (CID 165048813) is N-chrysen-1-yl-N-dibenzofuran-2-yldibenzofuran-2-amine;N-chrysen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-chrysen-3-yl-N-(2-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-chrysen-1-yl-N-dibenzofuran-2-yldibenzofuran-2-amine;N-chrysen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-chrysen-3-yl-N-(2-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-chrysen-1-yl-N-dibenzofuran-2-yldibenzofuran-2-amine;N-chrysen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-chrysen-3-yl-N-(2-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3cccc4c3ccc3c5ccccc5ccc43)cc2)cc1.c1ccc(-c2ccccc2N(c2ccc3ccc4c5ccccc5ccc4c3c2)c2ccc3oc4ccccc4c3c2)cc1.c1ccc2c(c1)ccc1c3cccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5oc6ccccc6c5c4)c3ccc21.
What is the InChIKey of N-chrysen-1-yl-N-dibenzofuran-2-yldibenzofuran-2-amine;N-chrysen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-chrysen-3-yl-N-(2-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is PIJNCNALBMLMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NO2.2C42H27NO/c1-2-9-29-26(8-1)16-19-32-30-12-7-13-38(33(30)21-20-31(29)32)43(27-17-22-41-36(24-27)34-10-3-5-14-39(34)44-41)28-18-23-42-37(25-28)35-11-4-6-15-40(35)45-42;1-2-10-28(11-3-1)34-14-6-8-16-40(34)43(32-22-25-42-39(27-32)37-15-7-9-17-41(37)44-42)31-21-18-30-20-23-35-33-13-5-4-12-29(33)19-24-36(35)38(30)26-31;1-2-9-28(10-3-1)29-17-20-31(21-18-29)43(32-22-26-42-39(27-32)38-13-6-7-16-41(38)44-42)40-15-8-14-34-36-23-19-30-11-4-5-12-33(30)35(36)24-25-37(34)40/h1-25H;2*1-27H.
What are the key properties of N-chrysen-1-yl-N-dibenzofuran-2-yldibenzofuran-2-amine;N-chrysen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-chrysen-3-yl-N-(2-phenylphenyl)dibenzofuran-2-amine?
N-chrysen-1-yl-N-dibenzofuran-2-yldibenzofuran-2-amine;N-chrysen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-chrysen-3-yl-N-(2-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 1699.03 g/mol, XLogP of 36.78, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-chrysen-1-yl-N-dibenzofuran-2-yldibenzofuran-2-amine;N-chrysen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-chrysen-3-yl-N-(2-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 165048813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).