beryllium;bis(3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile;12-(10-naphthalen-1-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-(10-naphthalen-2-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene

C157H96BeN4O6S2+2 — CID 157171820

About beryllium;bis(3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile;12-(10-naphthalen-1-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-(10-naphthalen-2-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene

beryllium;bis(3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile;12-(10-naphthalen-1-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-(10-naphthalen-2-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene (PubChem CID 157171820) has the molecular formula C157H96BeN4O6S2+2 and a molecular weight of 2207.66 g/mol. Its IUPAC name is beryllium;bis(3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile;12-(10-naphthalen-1-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-(10-naphthalen-2-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: beryllium;bis(3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile;12-(10-naphthalen-1-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-(10-naphthalen-2-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
• PubChem CID: 157171820
• Molecular Formula: C157H96BeN4O6S2+2
• Molecular Weight: 2207.66 g/mol
• Exact Mass: 2205.69
• IUPAC Name: beryllium;bis(3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile;12-(10-naphthalen-1-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-(10-naphthalen-2-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
• SMILES: Cc1ccc(C2(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc3-c3cc(C#N)ccc32)cc1.[Be+2].[O-]c1cc2ccccc2cc1-c1[nH+]c2ccccc2s1.[O-]c1cc2ccccc2cc1-c1[nH+]c2ccccc2s1.c1ccc2c(-c3c4ccccc4c(-c4c5oc6ccccc6c5cc5c4oc4ccccc45)c4ccccc34)cccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4c5oc6ccccc6c5cc5c4oc4ccccc45)c4ccccc34)ccc2c1
• InChI: InChI=1S/2C42H24O2.C39H26N2.2C17H11NOS.Be/c1-2-14-26-25(12-1)13-11-21-29(26)38-30-17-3-5-19-32(30)39(33-20-6-4-18-31(33)38)40-41-34(27-15-7-9-22-36(27)43-41)24-35-28-16-8-10-23-37(28)44-42(35)40;1-2-12-26-23-27(22-21-25(26)11-1)38-30-15-3-5-17-32(30)39(33-18-6-4-16-31(33)38)40-41-34(28-13-7-9-19-36(28)43-41)24-35-29-14-8-10-20-37(29)44-42(35)40;1-26-15-18-28(19-16-26)39(35-13-7-5-11-31(35)33-23-27(25-40)17-21-36(33)39)29-20-22-38-34(24-29)32-12-6-8-14-37(32)41(38)30-9-3-2-4-10-30;2*19-15-10-12-6-2-1-5-11(12)9-13(15)17-18-14-7-3-4-8-16(14)20-17;/h2*1-24H;2-24H,1H3;2*1-10,19H;/q;;;;;+2
• InChIKey: ANOAUTPYACVMQM-UHFFFAOYSA-N
• XLogP: 40.72
• TPSA: 155.68 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2207.66
LogP ≤ 5	40.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of beryllium;bis(3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile;12-(10-naphthalen-1-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-(10-naphthalen-2-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The IUPAC name of beryllium;bis(3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile;12-(10-naphthalen-1-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-(10-naphthalen-2-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 157171820) is beryllium;bis(3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile;12-(10-naphthalen-1-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-(10-naphthalen-2-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene.

What is the SMILES notation for beryllium;bis(3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile;12-(10-naphthalen-1-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-(10-naphthalen-2-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The canonical SMILES for beryllium;bis(3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile;12-(10-naphthalen-1-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-(10-naphthalen-2-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene is Cc1ccc(C2(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc3-c3cc(C#N)ccc32)cc1.[Be+2].[O-]c1cc2ccccc2cc1-c1[nH+]c2ccccc2s1.[O-]c1cc2ccccc2cc1-c1[nH+]c2ccccc2s1.c1ccc2c(-c3c4ccccc4c(-c4c5oc6ccccc6c5cc5c4oc4ccccc45)c4ccccc34)cccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4c5oc6ccccc6c5cc5c4oc4ccccc45)c4ccccc34)ccc2c1.

What is the InChIKey of beryllium;bis(3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile;12-(10-naphthalen-1-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-(10-naphthalen-2-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The InChIKey is ANOAUTPYACVMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C42H24O2.C39H26N2.2C17H11NOS.Be/c1-2-14-26-25(12-1)13-11-21-29(26)38-30-17-3-5-19-32(30)39(33-20-6-4-18-31(33)38)40-41-34(27-15-7-9-22-36(27)43-41)24-35-28-16-8-10-23-37(28)44-42(35)40;1-2-12-26-23-27(22-21-25(26)11-1)38-30-15-3-5-17-32(30)39(33-18-6-4-16-31(33)38)40-41-34(28-13-7-9-19-36(28)43-41)24-35-29-14-8-10-20-37(29)44-42(35)40;1-26-15-18-28(19-16-26)39(35-13-7-5-11-31(35)33-23-27(25-40)17-21-36(33)39)29-20-22-38-34(24-29)32-12-6-8-14-37(32)41(38)30-9-3-2-4-10-30;2*19-15-10-12-6-2-1-5-11(12)9-13(15)17-18-14-7-3-4-8-16(14)20-17;/h2*1-24H;2-24H,1H3;2*1-10,19H;/q;;;;;+2.

What are the key properties of beryllium;bis(3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile;12-(10-naphthalen-1-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-(10-naphthalen-2-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene?

beryllium;bis(3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile;12-(10-naphthalen-1-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-(10-naphthalen-2-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene has a molecular weight of 2207.66 g/mol, XLogP of 40.72, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for beryllium;bis(3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile;12-(10-naphthalen-1-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-(10-naphthalen-2-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene is sourced from PubChem (CID 157171820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).