N-chrysen-6-yl-N-phenyldibenzofuran-2-amine;6-N,12-N-di(dibenzofuran-2-yl)-6-N,12-N-bis(3-methylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-2-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine

C148H99N5O5 — CID 158655750

About N-chrysen-6-yl-N-phenyldibenzofuran-2-amine;6-N,12-N-di(dibenzofuran-2-yl)-6-N,12-N-bis(3-methylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-2-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine

N-chrysen-6-yl-N-phenyldibenzofuran-2-amine;6-N,12-N-di(dibenzofuran-2-yl)-6-N,12-N-bis(3-methylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-2-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine (PubChem CID 158655750) has the molecular formula C148H99N5O5 and a molecular weight of 2027.45 g/mol. Its IUPAC name is N-chrysen-6-yl-N-phenyldibenzofuran-2-amine;6-N,12-N-di(dibenzofuran-2-yl)-6-N,12-N-bis(3-methylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-2-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine.

Molecular Properties

• Compound Name: N-chrysen-6-yl-N-phenyldibenzofuran-2-amine;6-N,12-N-di(dibenzofuran-2-yl)-6-N,12-N-bis(3-methylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-2-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine
• PubChem CID: 158655750
• Molecular Formula: C148H99N5O5
• Molecular Weight: 2027.45 g/mol
• Exact Mass: 2025.76
• IUPAC Name: N-chrysen-6-yl-N-phenyldibenzofuran-2-amine;6-N,12-N-di(dibenzofuran-2-yl)-6-N,12-N-bis(3-methylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-2-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine
• SMILES: Cc1ccc2c(c1)c(N(c1ccccc1)c1ccc3oc4ccccc4c3c1)cc1c3ccc(C)cc3c(N(c3ccccc3)c3ccc4oc5ccccc5c4c3)cc21.Cc1cccc(N(c2ccc3oc4ccccc4c3c2)c2cc3c4ccccc4c(N(c4cccc(C)c4)c4ccc5oc6ccccc6c5c4)cc3c3ccccc23)c1.c1ccc(N(c2ccc3oc4ccccc4c3c2)c2cc3c4ccccc4ccc3c3ccccc23)cc1
• InChI: InChI=1S/2C56H38N2O2.C36H23NO/c1-35-13-11-15-37(29-35)57(39-25-27-55-49(31-39)45-21-7-9-23-53(45)59-55)51-33-47-42-18-4-6-20-44(42)52(34-48(47)41-17-3-5-19-43(41)51)58(38-16-12-14-36(2)30-38)40-26-28-56-50(32-40)46-22-8-10-24-54(46)60-56;1-35-21-25-41-45-34-52(58(38-15-7-4-8-16-38)40-24-28-56-50(32-40)44-18-10-12-20-54(44)60-56)48-30-36(2)22-26-42(48)46(45)33-51(47(41)29-35)57(37-13-5-3-6-14-37)39-23-27-55-49(31-39)43-17-9-11-19-53(43)59-55;1-2-11-25(12-3-1)37(26-19-21-36-33(22-26)31-16-8-9-17-35(31)38-36)34-23-32-27-13-5-4-10-24(27)18-20-29(32)28-14-6-7-15-30(28)34/h2*3-34H,1-2H3;1-23H
• InChIKey: ICCPKVOZHQXAFO-UHFFFAOYSA-N
• XLogP: 43.52
• TPSA: 81.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2027.45
LogP ≤ 5	43.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-chrysen-6-yl-N-phenyldibenzofuran-2-amine;6-N,12-N-di(dibenzofuran-2-yl)-6-N,12-N-bis(3-methylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-2-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine?

The IUPAC name of N-chrysen-6-yl-N-phenyldibenzofuran-2-amine;6-N,12-N-di(dibenzofuran-2-yl)-6-N,12-N-bis(3-methylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-2-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine (CID 158655750) is N-chrysen-6-yl-N-phenyldibenzofuran-2-amine;6-N,12-N-di(dibenzofuran-2-yl)-6-N,12-N-bis(3-methylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-2-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine.

What is the SMILES notation for N-chrysen-6-yl-N-phenyldibenzofuran-2-amine;6-N,12-N-di(dibenzofuran-2-yl)-6-N,12-N-bis(3-methylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-2-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine?

The canonical SMILES for N-chrysen-6-yl-N-phenyldibenzofuran-2-amine;6-N,12-N-di(dibenzofuran-2-yl)-6-N,12-N-bis(3-methylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-2-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine is Cc1ccc2c(c1)c(N(c1ccccc1)c1ccc3oc4ccccc4c3c1)cc1c3ccc(C)cc3c(N(c3ccccc3)c3ccc4oc5ccccc5c4c3)cc21.Cc1cccc(N(c2ccc3oc4ccccc4c3c2)c2cc3c4ccccc4c(N(c4cccc(C)c4)c4ccc5oc6ccccc6c5c4)cc3c3ccccc23)c1.c1ccc(N(c2ccc3oc4ccccc4c3c2)c2cc3c4ccccc4ccc3c3ccccc23)cc1.

What is the InChIKey of N-chrysen-6-yl-N-phenyldibenzofuran-2-amine;6-N,12-N-di(dibenzofuran-2-yl)-6-N,12-N-bis(3-methylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-2-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine?

The InChIKey is ICCPKVOZHQXAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C56H38N2O2.C36H23NO/c1-35-13-11-15-37(29-35)57(39-25-27-55-49(31-39)45-21-7-9-23-53(45)59-55)51-33-47-42-18-4-6-20-44(42)52(34-48(47)41-17-3-5-19-43(41)51)58(38-16-12-14-36(2)30-38)40-26-28-56-50(32-40)46-22-8-10-24-54(46)60-56;1-35-21-25-41-45-34-52(58(38-15-7-4-8-16-38)40-24-28-56-50(32-40)44-18-10-12-20-54(44)60-56)48-30-36(2)22-26-42(48)46(45)33-51(47(41)29-35)57(37-13-5-3-6-14-37)39-23-27-55-49(31-39)43-17-9-11-19-53(43)59-55;1-2-11-25(12-3-1)37(26-19-21-36-33(22-26)31-16-8-9-17-35(31)38-36)34-23-32-27-13-5-4-10-24(27)18-20-29(32)28-14-6-7-15-30(28)34/h2*3-34H,1-2H3;1-23H.

What are the key properties of N-chrysen-6-yl-N-phenyldibenzofuran-2-amine;6-N,12-N-di(dibenzofuran-2-yl)-6-N,12-N-bis(3-methylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-2-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine?

N-chrysen-6-yl-N-phenyldibenzofuran-2-amine;6-N,12-N-di(dibenzofuran-2-yl)-6-N,12-N-bis(3-methylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-2-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine has a molecular weight of 2027.45 g/mol, XLogP of 43.52, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-chrysen-6-yl-N-phenyldibenzofuran-2-amine;6-N,12-N-di(dibenzofuran-2-yl)-6-N,12-N-bis(3-methylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-2-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine is sourced from PubChem (CID 158655750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).