27-(1-phenylbenzo[f]quinazolin-3-yl)-27-azaheptacyclo[12.11.1.13,25.02,7.08,13.018,26.019,24]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18(26),19,21,23-tridecaene;6-phenyl-23-(1-phenylbenzo[f]quinazolin-3-yl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene;6-phenyl-30-(1-phenylbenzo[f]quinazolin-3-yl)-6,30-diazaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2,4,7,9,11,13,15,17,19,21,23,25(29),26-tetradecaene

C142H82N10 — CID 162090327

About 27-(1-phenylbenzo[f]quinazolin-3-yl)-27-azaheptacyclo[12.11.1.13,25.02,7.08,13.018,26.019,24]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18(26),19,21,23-tridecaene;6-phenyl-23-(1-phenylbenzo[f]quinazolin-3-yl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene;6-phenyl-30-(1-phenylbenzo[f]quinazolin-3-yl)-6,30-diazaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2,4,7,9,11,13,15,17,19,21,23,25(29),26-tetradecaene

27-(1-phenylbenzo[f]quinazolin-3-yl)-27-azaheptacyclo[12.11.1.13,25.02,7.08,13.018,26.019,24]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18(26),19,21,23-tridecaene;6-phenyl-23-(1-phenylbenzo[f]quinazolin-3-yl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene;6-phenyl-30-(1-phenylbenzo[f]quinazolin-3-yl)-6,30-diazaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2,4,7,9,11,13,15,17,19,21,23,25(29),26-tetradecaene (PubChem CID 162090327) has the molecular formula C142H82N10 and a molecular weight of 1928.29 g/mol. Its IUPAC name is 27-(1-phenylbenzo[f]quinazolin-3-yl)-27-azaheptacyclo[12.11.1.13,25.02,7.08,13.018,26.019,24]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18(26),19,21,23-tridecaene;6-phenyl-23-(1-phenylbenzo[f]quinazolin-3-yl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene;6-phenyl-30-(1-phenylbenzo[f]quinazolin-3-yl)-6,30-diazaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2,4,7,9,11,13,15,17,19,21,23,25(29),26-tetradecaene.

Molecular Properties

• Compound Name: 27-(1-phenylbenzo[f]quinazolin-3-yl)-27-azaheptacyclo[12.11.1.13,25.02,7.08,13.018,26.019,24]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18(26),19,21,23-tridecaene;6-phenyl-23-(1-phenylbenzo[f]quinazolin-3-yl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene;6-phenyl-30-(1-phenylbenzo[f]quinazolin-3-yl)-6,30-diazaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2,4,7,9,11,13,15,17,19,21,23,25(29),26-tetradecaene
• PubChem CID: 162090327
• Molecular Formula: C142H82N10
• Molecular Weight: 1928.29 g/mol
• Exact Mass: 1926.67
• IUPAC Name: 27-(1-phenylbenzo[f]quinazolin-3-yl)-27-azaheptacyclo[12.11.1.13,25.02,7.08,13.018,26.019,24]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18(26),19,21,23-tridecaene;6-phenyl-23-(1-phenylbenzo[f]quinazolin-3-yl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene;6-phenyl-30-(1-phenylbenzo[f]quinazolin-3-yl)-6,30-diazaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2,4,7,9,11,13,15,17,19,21,23,25(29),26-tetradecaene
• SMILES: c1ccc(-c2ccc3c4c2-c2ccccc2-c2cccc5ccc(c4c25)n3-c2nc(-c3ccccc3)c3c(ccc4ccccc43)n2)cc1.c1ccc(-c2nc(-n3c4cc5c(c6c4c4c7c(cccc7ccc43)-c3ccccc3-6)c3ccccc3n5-c3ccccc3)nc3ccc4ccccc4c23)cc1.c1ccc(-c2nc(-n3c4cccc5c4c4c6c(cccc6c6ccccc6c43)-c3ccccc3-5)nc3ccc4ccccc4c23)cc1
• InChI: InChI=1S/C52H30N4.C46H27N3.C44H25N3/c1-3-15-33(16-4-1)51-46-35-20-8-7-14-31(35)26-28-40(46)53-52(54-51)56-42-29-27-32-17-13-24-37-36-21-9-10-22-38(36)48-47-39-23-11-12-25-41(39)55(34-18-5-2-6-19-34)43(47)30-44(56)50(48)49(42)45(32)37;1-3-12-28(13-4-1)33-24-27-39-44-41(33)36-20-10-9-19-34(36)35-21-11-17-30-23-26-38(43(44)40(30)35)49(39)46-47-37-25-22-29-14-7-8-18-32(29)42(37)45(48-46)31-15-5-2-6-16-31;1-2-13-27(14-3-1)42-39-28-15-5-4-12-26(28)24-25-36(39)45-44(46-42)47-37-23-11-22-34-30-17-7-6-16-29(30)32-20-10-21-33-31-18-8-9-19-35(31)43(47)41(38(32)33)40(34)37/h1-30H;1-27H;1-25H
• InChIKey: ZDNCHUDMFMMQEA-UHFFFAOYSA-N
• XLogP: 36.96
• TPSA: 97.06 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1928.29
LogP ≤ 5	36.96
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 27-(1-phenylbenzo[f]quinazolin-3-yl)-27-azaheptacyclo[12.11.1.13,25.02,7.08,13.018,26.019,24]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18(26),19,21,23-tridecaene;6-phenyl-23-(1-phenylbenzo[f]quinazolin-3-yl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene;6-phenyl-30-(1-phenylbenzo[f]quinazolin-3-yl)-6,30-diazaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2,4,7,9,11,13,15,17,19,21,23,25(29),26-tetradecaene?

The IUPAC name of 27-(1-phenylbenzo[f]quinazolin-3-yl)-27-azaheptacyclo[12.11.1.13,25.02,7.08,13.018,26.019,24]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18(26),19,21,23-tridecaene;6-phenyl-23-(1-phenylbenzo[f]quinazolin-3-yl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene;6-phenyl-30-(1-phenylbenzo[f]quinazolin-3-yl)-6,30-diazaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2,4,7,9,11,13,15,17,19,21,23,25(29),26-tetradecaene (CID 162090327) is 27-(1-phenylbenzo[f]quinazolin-3-yl)-27-azaheptacyclo[12.11.1.13,25.02,7.08,13.018,26.019,24]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18(26),19,21,23-tridecaene;6-phenyl-23-(1-phenylbenzo[f]quinazolin-3-yl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene;6-phenyl-30-(1-phenylbenzo[f]quinazolin-3-yl)-6,30-diazaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2,4,7,9,11,13,15,17,19,21,23,25(29),26-tetradecaene.

What is the SMILES notation for 27-(1-phenylbenzo[f]quinazolin-3-yl)-27-azaheptacyclo[12.11.1.13,25.02,7.08,13.018,26.019,24]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18(26),19,21,23-tridecaene;6-phenyl-23-(1-phenylbenzo[f]quinazolin-3-yl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene;6-phenyl-30-(1-phenylbenzo[f]quinazolin-3-yl)-6,30-diazaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2,4,7,9,11,13,15,17,19,21,23,25(29),26-tetradecaene?

The canonical SMILES for 27-(1-phenylbenzo[f]quinazolin-3-yl)-27-azaheptacyclo[12.11.1.13,25.02,7.08,13.018,26.019,24]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18(26),19,21,23-tridecaene;6-phenyl-23-(1-phenylbenzo[f]quinazolin-3-yl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene;6-phenyl-30-(1-phenylbenzo[f]quinazolin-3-yl)-6,30-diazaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2,4,7,9,11,13,15,17,19,21,23,25(29),26-tetradecaene is c1ccc(-c2ccc3c4c2-c2ccccc2-c2cccc5ccc(c4c25)n3-c2nc(-c3ccccc3)c3c(ccc4ccccc43)n2)cc1.c1ccc(-c2nc(-n3c4cc5c(c6c4c4c7c(cccc7ccc43)-c3ccccc3-6)c3ccccc3n5-c3ccccc3)nc3ccc4ccccc4c23)cc1.c1ccc(-c2nc(-n3c4cccc5c4c4c6c(cccc6c6ccccc6c43)-c3ccccc3-5)nc3ccc4ccccc4c23)cc1.

What is the InChIKey of 27-(1-phenylbenzo[f]quinazolin-3-yl)-27-azaheptacyclo[12.11.1.13,25.02,7.08,13.018,26.019,24]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18(26),19,21,23-tridecaene;6-phenyl-23-(1-phenylbenzo[f]quinazolin-3-yl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene;6-phenyl-30-(1-phenylbenzo[f]quinazolin-3-yl)-6,30-diazaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2,4,7,9,11,13,15,17,19,21,23,25(29),26-tetradecaene?

The InChIKey is ZDNCHUDMFMMQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4.C46H27N3.C44H25N3/c1-3-15-33(16-4-1)51-46-35-20-8-7-14-31(35)26-28-40(46)53-52(54-51)56-42-29-27-32-17-13-24-37-36-21-9-10-22-38(36)48-47-39-23-11-12-25-41(39)55(34-18-5-2-6-19-34)43(47)30-44(56)50(48)49(42)45(32)37;1-3-12-28(13-4-1)33-24-27-39-44-41(33)36-20-10-9-19-34(36)35-21-11-17-30-23-26-38(43(44)40(30)35)49(39)46-47-37-25-22-29-14-7-8-18-32(29)42(37)45(48-46)31-15-5-2-6-16-31;1-2-13-27(14-3-1)42-39-28-15-5-4-12-26(28)24-25-36(39)45-44(46-42)47-37-23-11-22-34-30-17-7-6-16-29(30)32-20-10-21-33-31-18-8-9-19-35(31)43(47)41(38(32)33)40(34)37/h1-30H;1-27H;1-25H.

What are the key properties of 27-(1-phenylbenzo[f]quinazolin-3-yl)-27-azaheptacyclo[12.11.1.13,25.02,7.08,13.018,26.019,24]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18(26),19,21,23-tridecaene;6-phenyl-23-(1-phenylbenzo[f]quinazolin-3-yl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene;6-phenyl-30-(1-phenylbenzo[f]quinazolin-3-yl)-6,30-diazaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2,4,7,9,11,13,15,17,19,21,23,25(29),26-tetradecaene?

27-(1-phenylbenzo[f]quinazolin-3-yl)-27-azaheptacyclo[12.11.1.13,25.02,7.08,13.018,26.019,24]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18(26),19,21,23-tridecaene;6-phenyl-23-(1-phenylbenzo[f]quinazolin-3-yl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene;6-phenyl-30-(1-phenylbenzo[f]quinazolin-3-yl)-6,30-diazaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2,4,7,9,11,13,15,17,19,21,23,25(29),26-tetradecaene has a molecular weight of 1928.29 g/mol, XLogP of 36.96, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 27-(1-phenylbenzo[f]quinazolin-3-yl)-27-azaheptacyclo[12.11.1.13,25.02,7.08,13.018,26.019,24]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18(26),19,21,23-tridecaene;6-phenyl-23-(1-phenylbenzo[f]quinazolin-3-yl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene;6-phenyl-30-(1-phenylbenzo[f]quinazolin-3-yl)-6,30-diazaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2,4,7,9,11,13,15,17,19,21,23,25(29),26-tetradecaene is sourced from PubChem (CID 162090327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).