24-[7-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-4-phenylbenzo[h]quinazolin-2-yl]-13-[4-phenyl-2-(3-thia-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-undecaen-24-yl)benzo[h]quinazolin-7-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(16),12,14,18,20,22-undecaene

C126H72N10OS — CID 155102121

About 24-[7-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-4-phenylbenzo[h]quinazolin-2-yl]-13-[4-phenyl-2-(3-thia-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-undecaen-24-yl)benzo[h]quinazolin-7-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(16),12,14,18,20,22-undecaene

24-[7-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-4-phenylbenzo[h]quinazolin-2-yl]-13-[4-phenyl-2-(3-thia-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-undecaen-24-yl)benzo[h]quinazolin-7-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(16),12,14,18,20,22-undecaene (PubChem CID 155102121) has the molecular formula C126H72N10OS and a molecular weight of 1774.10 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]-13-[4-phenyl-2-(3-thia-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-undecaen-24-yl)benzo[h]quinazolin-7-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(16),12,14,18,20,22-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]-13-[4-phenyl-2-(3-thia-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-undecaen-24-yl)benzo[h]quinazolin-7-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(16),12,14,18,20,22-undecaene
• PubChem CID: 155102121
• Molecular Formula: C126H72N10OS
• Molecular Weight: 1774.10 g/mol
• Exact Mass: 1772.56
• 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]-13-[4-phenyl-2-(3-thia-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-undecaen-24-yl)benzo[h]quinazolin-7-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(16),12,14,18,20,22-undecaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5c(-c6cccc7c6ccc6c(-c8ccccc8)nc(-n8c9ccccc9c9c%10ccc(-c%11cccc%12c%11ccc%11c(-c%13ccccc%13)nc(-n%13c%14ccccc%14c%14c%15ccccc%15c%15c%16ccccc%16sc%15c%14%13)nc%11%12)cc%10c%10c%11ccccc%11oc%10c98)nc67)cccc54)c3)n2)cc1
• InChI: InChI=1S/C126H72N10OS/c1-5-32-73(33-6-1)101-72-102(74-34-7-2-8-35-74)128-124(127-101)78-68-79(133-103-54-22-15-40-85(103)86-41-16-23-55-104(86)133)71-80(69-78)134-105-56-24-17-44-93(105)111-87(51-31-59-108(111)134)82-50-30-53-92-84(82)65-67-99-116(75-36-9-3-10-37-75)129-125(131-119(92)99)135-106-57-25-18-45-94(106)112-90-63-62-77(70-100(90)114-96-47-20-27-60-109(96)137-122(114)120(112)135)81-49-29-52-91-83(81)64-66-98-117(76-38-11-4-12-39-76)130-126(132-118(91)98)136-107-58-26-19-46-95(107)113-88-42-13-14-43-89(88)115-97-48-21-28-61-110(97)138-123(115)121(113)136/h1-72H
• InChIKey: HUIXWDSNSIAVPC-UHFFFAOYSA-N
• XLogP: 33.30
• TPSA: 110.20 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1774.10
LogP ≤ 5	33.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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]-13-[4-phenyl-2-(3-thia-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-undecaen-24-yl)benzo[h]quinazolin-7-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(16),12,14,18,20,22-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]-13-[4-phenyl-2-(3-thia-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-undecaen-24-yl)benzo[h]quinazolin-7-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(16),12,14,18,20,22-undecaene (CID 155102121) is 24-[7-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-4-phenylbenzo[h]quinazolin-2-yl]-13-[4-phenyl-2-(3-thia-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-undecaen-24-yl)benzo[h]quinazolin-7-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(16),12,14,18,20,22-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]-13-[4-phenyl-2-(3-thia-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-undecaen-24-yl)benzo[h]quinazolin-7-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(16),12,14,18,20,22-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]-13-[4-phenyl-2-(3-thia-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-undecaen-24-yl)benzo[h]quinazolin-7-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(16),12,14,18,20,22-undecaene is c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5c(-c6cccc7c6ccc6c(-c8ccccc8)nc(-n8c9ccccc9c9c%10ccc(-c%11cccc%12c%11ccc%11c(-c%13ccccc%13)nc(-n%13c%14ccccc%14c%14c%15ccccc%15c%15c%16ccccc%16sc%15c%14%13)nc%11%12)cc%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]-13-[4-phenyl-2-(3-thia-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-undecaen-24-yl)benzo[h]quinazolin-7-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(16),12,14,18,20,22-undecaene?

The InChIKey is HUIXWDSNSIAVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C126H72N10OS/c1-5-32-73(33-6-1)101-72-102(74-34-7-2-8-35-74)128-124(127-101)78-68-79(133-103-54-22-15-40-85(103)86-41-16-23-55-104(86)133)71-80(69-78)134-105-56-24-17-44-93(105)111-87(51-31-59-108(111)134)82-50-30-53-92-84(82)65-67-99-116(75-36-9-3-10-37-75)129-125(131-119(92)99)135-106-57-25-18-45-94(106)112-90-63-62-77(70-100(90)114-96-47-20-27-60-109(96)137-122(114)120(112)135)81-49-29-52-91-83(81)64-66-98-117(76-38-11-4-12-39-76)130-126(132-118(91)98)136-107-58-26-19-46-95(107)113-88-42-13-14-43-89(88)115-97-48-21-28-61-110(97)138-123(115)121(113)136/h1-72H.

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]-13-[4-phenyl-2-(3-thia-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-undecaen-24-yl)benzo[h]quinazolin-7-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(16),12,14,18,20,22-undecaene?

24-[7-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-4-phenylbenzo[h]quinazolin-2-yl]-13-[4-phenyl-2-(3-thia-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-undecaen-24-yl)benzo[h]quinazolin-7-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(16),12,14,18,20,22-undecaene has a molecular weight of 1774.10 g/mol, XLogP of 33.30, 11 rotatable bonds, 0 hydrogen bond donors, and 12 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]-13-[4-phenyl-2-(3-thia-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-undecaen-24-yl)benzo[h]quinazolin-7-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(16),12,14,18,20,22-undecaene is sourced from PubChem (CID 155102121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).