9,10-dibenzhydrylanthracene;9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3-dihydrochrysene-6,12-diamine

C148H118N4 — CID 157352445

About 9,10-dibenzhydrylanthracene;9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3-dihydrochrysene-6,12-diamine

9,10-dibenzhydrylanthracene;9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3-dihydrochrysene-6,12-diamine (PubChem CID 157352445) has the molecular formula C148H118N4 and a molecular weight of 1952.60 g/mol. Its IUPAC name is 9,10-dibenzhydrylanthracene;9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3-dihydrochrysene-6,12-diamine.

Molecular Properties

• Compound Name: 9,10-dibenzhydrylanthracene;9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3-dihydrochrysene-6,12-diamine
• PubChem CID: 157352445
• Molecular Formula: C148H118N4
• Molecular Weight: 1952.60 g/mol
• Exact Mass: 1950.94
• IUPAC Name: 9,10-dibenzhydrylanthracene;9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3-dihydrochrysene-6,12-diamine
• SMILES: Cc1ccc(N(c2ccc(C)c(C)c2)c2cc3c(cc(N(c4ccc(C)c(C)c4)c4ccc(C)c(C)c4)c4ccccc43)c3c2=CCCC=3)cc1C.c1ccc(C(c2ccccc2)c2c3ccccc3c(C(c3ccccc3)c3ccccc3)c3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(-c4ccc5ccccc5c4)c4cc(N(c5ccccc5)c5ccccc5)ccc4c(-c4ccc5ccccc5c4)c3c2)cc1
• InChI: InChI=1S/C58H40N2.C50H48N2.C40H30/c1-5-21-47(22-6-1)59(48-23-7-2-8-24-48)51-33-35-53-55(39-51)57(45-31-29-41-17-13-15-19-43(41)37-45)54-36-34-52(60(49-25-9-3-10-26-49)50-27-11-4-12-28-50)40-56(54)58(53)46-32-30-42-18-14-16-20-44(42)38-46;1-31-17-21-39(25-35(31)5)51(40-22-18-32(2)36(6)26-40)49-29-47-44-14-10-12-16-46(44)50(30-48(47)43-13-9-11-15-45(43)49)52(41-23-19-33(3)37(7)27-41)42-24-20-34(4)38(8)28-42;1-5-17-29(18-6-1)37(30-19-7-2-8-20-30)39-33-25-13-15-27-35(33)40(36-28-16-14-26-34(36)39)38(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-40H;9,11,13-30H,10,12H2,1-8H3;1-28,37-38H
• InChIKey: BHRRKUREAFXZDD-UHFFFAOYSA-N
• XLogP: 39.68
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 20
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1952.60
LogP ≤ 5	39.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9,10-dibenzhydrylanthracene;9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3-dihydrochrysene-6,12-diamine?

The IUPAC name of 9,10-dibenzhydrylanthracene;9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3-dihydrochrysene-6,12-diamine (CID 157352445) is 9,10-dibenzhydrylanthracene;9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3-dihydrochrysene-6,12-diamine.

What is the SMILES notation for 9,10-dibenzhydrylanthracene;9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3-dihydrochrysene-6,12-diamine?

The canonical SMILES for 9,10-dibenzhydrylanthracene;9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3-dihydrochrysene-6,12-diamine is Cc1ccc(N(c2ccc(C)c(C)c2)c2cc3c(cc(N(c4ccc(C)c(C)c4)c4ccc(C)c(C)c4)c4ccccc43)c3c2=CCCC=3)cc1C.c1ccc(C(c2ccccc2)c2c3ccccc3c(C(c3ccccc3)c3ccccc3)c3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(-c4ccc5ccccc5c4)c4cc(N(c5ccccc5)c5ccccc5)ccc4c(-c4ccc5ccccc5c4)c3c2)cc1.

What is the InChIKey of 9,10-dibenzhydrylanthracene;9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3-dihydrochrysene-6,12-diamine?

The InChIKey is BHRRKUREAFXZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2.C50H48N2.C40H30/c1-5-21-47(22-6-1)59(48-23-7-2-8-24-48)51-33-35-53-55(39-51)57(45-31-29-41-17-13-15-19-43(41)37-45)54-36-34-52(60(49-25-9-3-10-26-49)50-27-11-4-12-28-50)40-56(54)58(53)46-32-30-42-18-14-16-20-44(42)38-46;1-31-17-21-39(25-35(31)5)51(40-22-18-32(2)36(6)26-40)49-29-47-44-14-10-12-16-46(44)50(30-48(47)43-13-9-11-15-45(43)49)52(41-23-19-33(3)37(7)27-41)42-24-20-34(4)38(8)28-42;1-5-17-29(18-6-1)37(30-19-7-2-8-20-30)39-33-25-13-15-27-35(33)40(36-28-16-14-26-34(36)39)38(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-40H;9,11,13-30H,10,12H2,1-8H3;1-28,37-38H.

What are the key properties of 9,10-dibenzhydrylanthracene;9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3-dihydrochrysene-6,12-diamine?

9,10-dibenzhydrylanthracene;9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3-dihydrochrysene-6,12-diamine has a molecular weight of 1952.60 g/mol, XLogP of 39.68, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9,10-dibenzhydrylanthracene;9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3-dihydrochrysene-6,12-diamine is sourced from PubChem (CID 157352445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).