24-[7-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-4-phenylbenzo[h]quinazolin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

C86H51N7O — CID 166756235

About 24-[7-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-4-phenylbenzo[h]quinazolin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

24-[7-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-4-phenylbenzo[h]quinazolin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (PubChem CID 166756235) has the molecular formula C86H51N7O and a molecular weight of 1198.40 g/mol. Its IUPAC name is 24-[7-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-4-phenylbenzo[h]quinazolin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

Molecular Properties

• Compound Name: 24-[7-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-4-phenylbenzo[h]quinazolin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
• PubChem CID: 166756235
• Molecular Formula: C86H51N7O
• Molecular Weight: 1198.40 g/mol
• Exact Mass: 1197.42
• IUPAC Name: 24-[7-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-4-phenylbenzo[h]quinazolin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5c(-c6cccc7c6ccc6c(-c8ccccc8)nc(-n8c9ccccc9c9c%10ccccc%10c%10c%11ccccc%11oc%10c98)nc67)cccc54)c3)n2)cc1
• InChI: InChI=1S/C86H51N7O/c1-4-24-52(25-5-1)70-51-71(53-26-6-2-7-27-53)88-85(87-70)55-48-56(91-72-40-17-12-30-60(72)61-31-13-18-41-73(61)91)50-57(49-55)92-74-42-19-14-34-66(74)78-62(38-23-44-76(78)92)58-37-22-39-65-59(58)46-47-69-81(54-28-8-3-9-29-54)89-86(90-82(65)69)93-75-43-20-15-35-67(75)79-63-32-10-11-33-64(63)80-68-36-16-21-45-77(68)94-84(80)83(79)93/h1-51H
• InChIKey: KARMQZGGBZUAIR-UHFFFAOYSA-N
• XLogP: 22.25
• TPSA: 79.49 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1198.40
LogP ≤ 5	22.25
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 24-[7-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-4-phenylbenzo[h]quinazolin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The IUPAC name of 24-[7-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-4-phenylbenzo[h]quinazolin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (CID 166756235) is 24-[7-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-4-phenylbenzo[h]quinazolin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

What is the SMILES notation for 24-[7-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-4-phenylbenzo[h]quinazolin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The canonical SMILES for 24-[7-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-4-phenylbenzo[h]quinazolin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5c(-c6cccc7c6ccc6c(-c8ccccc8)nc(-n8c9ccccc9c9c%10ccccc%10c%10c%11ccccc%11oc%10c98)nc67)cccc54)c3)n2)cc1.

What is the InChIKey of 24-[7-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-4-phenylbenzo[h]quinazolin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The InChIKey is KARMQZGGBZUAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H51N7O/c1-4-24-52(25-5-1)70-51-71(53-26-6-2-7-27-53)88-85(87-70)55-48-56(91-72-40-17-12-30-60(72)61-31-13-18-41-73(61)91)50-57(49-55)92-74-42-19-14-34-66(74)78-62(38-23-44-76(78)92)58-37-22-39-65-59(58)46-47-69-81(54-28-8-3-9-29-54)89-86(90-82(65)69)93-75-43-20-15-35-67(75)79-63-32-10-11-33-64(63)80-68-36-16-21-45-77(68)94-84(80)83(79)93/h1-51H.

What are the key properties of 24-[7-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-4-phenylbenzo[h]quinazolin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

24-[7-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-4-phenylbenzo[h]quinazolin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene has a molecular weight of 1198.40 g/mol, XLogP of 22.25, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 24-[7-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-4-phenylbenzo[h]quinazolin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 166756235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).