4-tert-butyl-2,6,7,8,9,10,11-heptamethyl-5,12-dihydronaphtho[2,3-g]quinazoline;11-tert-butyl-1,2,3,4,5,6,9-heptamethyl-7,12-dihydronaphtho[1,2-g]quinazoline;4-tert-butyl-2,5,6,7,8,9,10,11,12-nonamethylphenanthro[9,10-d]pyrimidine;4-tert-butyl-2,6,7,8,9-pentamethyl-5,10-dihydrobenzo[g]quinazoline

C104H132N8 — CID 160837000

About 4-tert-butyl-2,6,7,8,9,10,11-heptamethyl-5,12-dihydronaphtho[2,3-g]quinazoline;11-tert-butyl-1,2,3,4,5,6,9-heptamethyl-7,12-dihydronaphtho[1,2-g]quinazoline;4-tert-butyl-2,5,6,7,8,9,10,11,12-nonamethylphenanthro[9,10-d]pyrimidine;4-tert-butyl-2,6,7,8,9-pentamethyl-5,10-dihydrobenzo[g]quinazoline

4-tert-butyl-2,6,7,8,9,10,11-heptamethyl-5,12-dihydronaphtho[2,3-g]quinazoline;11-tert-butyl-1,2,3,4,5,6,9-heptamethyl-7,12-dihydronaphtho[1,2-g]quinazoline;4-tert-butyl-2,5,6,7,8,9,10,11,12-nonamethylphenanthro[9,10-d]pyrimidine;4-tert-butyl-2,6,7,8,9-pentamethyl-5,10-dihydrobenzo[g]quinazoline (PubChem CID 160837000) has the molecular formula C104H132N8 and a molecular weight of 1494.26 g/mol. Its IUPAC name is 4-tert-butyl-2,6,7,8,9,10,11-heptamethyl-5,12-dihydronaphtho[2,3-g]quinazoline;11-tert-butyl-1,2,3,4,5,6,9-heptamethyl-7,12-dihydronaphtho[1,2-g]quinazoline;4-tert-butyl-2,5,6,7,8,9,10,11,12-nonamethylphenanthro[9,10-d]pyrimidine;4-tert-butyl-2,6,7,8,9-pentamethyl-5,10-dihydrobenzo[g]quinazoline.

Molecular Properties

• Compound Name: 4-tert-butyl-2,6,7,8,9,10,11-heptamethyl-5,12-dihydronaphtho[2,3-g]quinazoline;11-tert-butyl-1,2,3,4,5,6,9-heptamethyl-7,12-dihydronaphtho[1,2-g]quinazoline;4-tert-butyl-2,5,6,7,8,9,10,11,12-nonamethylphenanthro[9,10-d]pyrimidine;4-tert-butyl-2,6,7,8,9-pentamethyl-5,10-dihydrobenzo[g]quinazoline
• PubChem CID: 160837000
• Molecular Formula: C104H132N8
• Molecular Weight: 1494.26 g/mol
• Exact Mass: 1493.06
• IUPAC Name: 4-tert-butyl-2,6,7,8,9,10,11-heptamethyl-5,12-dihydronaphtho[2,3-g]quinazoline;11-tert-butyl-1,2,3,4,5,6,9-heptamethyl-7,12-dihydronaphtho[1,2-g]quinazoline;4-tert-butyl-2,5,6,7,8,9,10,11,12-nonamethylphenanthro[9,10-d]pyrimidine;4-tert-butyl-2,6,7,8,9-pentamethyl-5,10-dihydrobenzo[g]quinazoline
• SMILES: Cc1nc(C(C)(C)C)c2c(n1)c1c(C)c(C)c(C)c(C)c1c1c(C)c(C)c(C)c(C)c21.Cc1nc2c(c(C(C)(C)C)n1)Cc1c(C)c(C)c(C)c(C)c1C2.Cc1nc2c(c(C(C)(C)C)n1)Cc1c(c(C)c(C)c3c(C)c(C)c(C)c(C)c13)C2.Cc1nc2c(c(C(C)(C)C)n1)Cc1c(c(C)c3c(C)c(C)c(C)c(C)c3c1C)C2
• InChI: InChI=1S/C29H36N2.2C27H34N2.C21H28N2/c1-13-14(2)19(7)24-22(17(13)5)23-18(6)15(3)16(4)20(8)25(23)27-26(24)28(29(10,11)12)31-21(9)30-27;1-13-14(2)17(5)25-21-11-22-23(28-19(7)29-26(22)27(8,9)10)12-20(21)15(3)18(6)24(25)16(13)4;1-13-14(2)16(4)25-18(6)21-12-23-22(11-20(21)17(5)24(25)15(13)3)26(27(8,9)10)29-19(7)28-23;1-11-12(2)14(4)17-10-19-18(9-16(17)13(11)3)20(21(6,7)8)23-15(5)22-19/h1-12H3;2*11-12H2,1-10H3;9-10H2,1-8H3
• InChIKey: SHNMUWZNYACMKS-UHFFFAOYSA-N
• XLogP: 25.98
• TPSA: 103.12 Ų
• H-Bond Acceptors: 8
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1494.26
LogP ≤ 5	25.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,6,7,8,9,10,11-heptamethyl-5,12-dihydronaphtho[2,3-g]quinazoline;11-tert-butyl-1,2,3,4,5,6,9-heptamethyl-7,12-dihydronaphtho[1,2-g]quinazoline;4-tert-butyl-2,5,6,7,8,9,10,11,12-nonamethylphenanthro[9,10-d]pyrimidine;4-tert-butyl-2,6,7,8,9-pentamethyl-5,10-dihydrobenzo[g]quinazoline?

The IUPAC name of 4-tert-butyl-2,6,7,8,9,10,11-heptamethyl-5,12-dihydronaphtho[2,3-g]quinazoline;11-tert-butyl-1,2,3,4,5,6,9-heptamethyl-7,12-dihydronaphtho[1,2-g]quinazoline;4-tert-butyl-2,5,6,7,8,9,10,11,12-nonamethylphenanthro[9,10-d]pyrimidine;4-tert-butyl-2,6,7,8,9-pentamethyl-5,10-dihydrobenzo[g]quinazoline (CID 160837000) is 4-tert-butyl-2,6,7,8,9,10,11-heptamethyl-5,12-dihydronaphtho[2,3-g]quinazoline;11-tert-butyl-1,2,3,4,5,6,9-heptamethyl-7,12-dihydronaphtho[1,2-g]quinazoline;4-tert-butyl-2,5,6,7,8,9,10,11,12-nonamethylphenanthro[9,10-d]pyrimidine;4-tert-butyl-2,6,7,8,9-pentamethyl-5,10-dihydrobenzo[g]quinazoline.

What is the SMILES notation for 4-tert-butyl-2,6,7,8,9,10,11-heptamethyl-5,12-dihydronaphtho[2,3-g]quinazoline;11-tert-butyl-1,2,3,4,5,6,9-heptamethyl-7,12-dihydronaphtho[1,2-g]quinazoline;4-tert-butyl-2,5,6,7,8,9,10,11,12-nonamethylphenanthro[9,10-d]pyrimidine;4-tert-butyl-2,6,7,8,9-pentamethyl-5,10-dihydrobenzo[g]quinazoline?

The canonical SMILES for 4-tert-butyl-2,6,7,8,9,10,11-heptamethyl-5,12-dihydronaphtho[2,3-g]quinazoline;11-tert-butyl-1,2,3,4,5,6,9-heptamethyl-7,12-dihydronaphtho[1,2-g]quinazoline;4-tert-butyl-2,5,6,7,8,9,10,11,12-nonamethylphenanthro[9,10-d]pyrimidine;4-tert-butyl-2,6,7,8,9-pentamethyl-5,10-dihydrobenzo[g]quinazoline is Cc1nc(C(C)(C)C)c2c(n1)c1c(C)c(C)c(C)c(C)c1c1c(C)c(C)c(C)c(C)c21.Cc1nc2c(c(C(C)(C)C)n1)Cc1c(C)c(C)c(C)c(C)c1C2.Cc1nc2c(c(C(C)(C)C)n1)Cc1c(c(C)c(C)c3c(C)c(C)c(C)c(C)c13)C2.Cc1nc2c(c(C(C)(C)C)n1)Cc1c(c(C)c3c(C)c(C)c(C)c(C)c3c1C)C2.

What is the InChIKey of 4-tert-butyl-2,6,7,8,9,10,11-heptamethyl-5,12-dihydronaphtho[2,3-g]quinazoline;11-tert-butyl-1,2,3,4,5,6,9-heptamethyl-7,12-dihydronaphtho[1,2-g]quinazoline;4-tert-butyl-2,5,6,7,8,9,10,11,12-nonamethylphenanthro[9,10-d]pyrimidine;4-tert-butyl-2,6,7,8,9-pentamethyl-5,10-dihydrobenzo[g]quinazoline?

The InChIKey is SHNMUWZNYACMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2.2C27H34N2.C21H28N2/c1-13-14(2)19(7)24-22(17(13)5)23-18(6)15(3)16(4)20(8)25(23)27-26(24)28(29(10,11)12)31-21(9)30-27;1-13-14(2)17(5)25-21-11-22-23(28-19(7)29-26(22)27(8,9)10)12-20(21)15(3)18(6)24(25)16(13)4;1-13-14(2)16(4)25-18(6)21-12-23-22(11-20(21)17(5)24(25)15(13)3)26(27(8,9)10)29-19(7)28-23;1-11-12(2)14(4)17-10-19-18(9-16(17)13(11)3)20(21(6,7)8)23-15(5)22-19/h1-12H3;2*11-12H2,1-10H3;9-10H2,1-8H3.

What are the key properties of 4-tert-butyl-2,6,7,8,9,10,11-heptamethyl-5,12-dihydronaphtho[2,3-g]quinazoline;11-tert-butyl-1,2,3,4,5,6,9-heptamethyl-7,12-dihydronaphtho[1,2-g]quinazoline;4-tert-butyl-2,5,6,7,8,9,10,11,12-nonamethylphenanthro[9,10-d]pyrimidine;4-tert-butyl-2,6,7,8,9-pentamethyl-5,10-dihydrobenzo[g]quinazoline?

4-tert-butyl-2,6,7,8,9,10,11-heptamethyl-5,12-dihydronaphtho[2,3-g]quinazoline;11-tert-butyl-1,2,3,4,5,6,9-heptamethyl-7,12-dihydronaphtho[1,2-g]quinazoline;4-tert-butyl-2,5,6,7,8,9,10,11,12-nonamethylphenanthro[9,10-d]pyrimidine;4-tert-butyl-2,6,7,8,9-pentamethyl-5,10-dihydrobenzo[g]quinazoline has a molecular weight of 1494.26 g/mol, XLogP of 25.98, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2,6,7,8,9,10,11-heptamethyl-5,12-dihydronaphtho[2,3-g]quinazoline;11-tert-butyl-1,2,3,4,5,6,9-heptamethyl-7,12-dihydronaphtho[1,2-g]quinazoline;4-tert-butyl-2,5,6,7,8,9,10,11,12-nonamethylphenanthro[9,10-d]pyrimidine;4-tert-butyl-2,6,7,8,9-pentamethyl-5,10-dihydrobenzo[g]quinazoline is sourced from PubChem (CID 160837000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).