2-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];2-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];2'-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];4-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]

C182H108N8 — CID 163651448

IUPAC2-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];2-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];2'-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];4-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
SMILESc1ccc2c(c1)-c1c(-c3ccc4c5ccccc5c5ccccc5c4c3)cccc1C21c2ccccc2-n2c1nc1ccccc12.c1ccc2c(c1)-c1ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc1C21c2ccccc2-n2c1nc1ccccc12.c1ccc2c(c1)-c1ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc1C21c2ccccc2-n2c1nc1ccccc12.c1ccc2c(c1)-c1ccccc1C21c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)ccc2-n2c1nc1ccccc12
InChIInChI=1S/C50H30N2.3C44H26N2/c1-2-16-33-31(14-1)15-13-22-36(33)48-39-20-5-3-18-37(39)47(38-19-4-6-21-40(38)48)32-28-29-35-34-17-7-8-23-41(34)50(43(35)30-32)42-24-9-11-26-45(42)52-46-27-12-10-25-44(46)51-49(50)52;1-2-13-31-29(11-1)30-12-3-4-14-32(30)36-25-27(21-23-33(31)36)28-22-24-41-39(26-28)44(43-45-40-19-9-10-20-42(40)46(41)43)37-17-7-5-15-34(37)35-16-6-8-18-38(35)44;1-2-14-31-29(12-1)30-13-3-4-15-32(30)35-26-27(24-25-33(31)35)28-17-11-20-38-42(28)34-16-5-6-18-36(34)44(38)37-19-7-9-22-40(37)46-41-23-10-8-21-39(41)45-43(44)46;1-2-13-31-29(11-1)30-12-3-4-14-32(30)36-25-27(21-23-33(31)36)28-22-24-35-34-15-5-6-16-37(34)44(39(35)26-28)38-17-7-9-19-41(38)46-42-20-10-8-18-40(42)45-43(44)46/h1-30H;3*1-26H
InChIKeyIMPDSPJHPCBWOL-UHFFFAOYSA-N
MW2406.92 g/mol
LogP44.98
Rot. Bonds5

About 2-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];2-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];2'-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];4-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]

2-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];2-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];2'-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];4-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] (PubChem CID 163651448) has the molecular formula C182H108N8 and a molecular weight of 2406.92 g/mol. Its IUPAC name is 2-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];2-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];2'-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];4-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole].

Molecular Properties

Compound Name2-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];2-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];2'-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];4-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
PubChem CID163651448
Molecular FormulaC182H108N8
Molecular Weight2406.92 g/mol
Exact Mass2404.87
IUPAC Name2-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];2-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];2'-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];4-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
SMILESc1ccc2c(c1)-c1c(-c3ccc4c5ccccc5c5ccccc5c4c3)cccc1C21c2ccccc2-n2c1nc1ccccc12.c1ccc2c(c1)-c1ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc1C21c2ccccc2-n2c1nc1ccccc12.c1ccc2c(c1)-c1ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc1C21c2ccccc2-n2c1nc1ccccc12.c1ccc2c(c1)-c1ccccc1C21c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)ccc2-n2c1nc1ccccc12
InChIInChI=1S/C50H30N2.3C44H26N2/c1-2-16-33-31(14-1)15-13-22-36(33)48-39-20-5-3-18-37(39)47(38-19-4-6-21-40(38)48)32-28-29-35-34-17-7-8-23-41(34)50(43(35)30-32)42-24-9-11-26-45(42)52-46-27-12-10-25-44(46)51-49(50)52;1-2-13-31-29(11-1)30-12-3-4-14-32(30)36-25-27(21-23-33(31)36)28-22-24-41-39(26-28)44(43-45-40-19-9-10-20-42(40)46(41)43)37-17-7-5-15-34(37)35-16-6-8-18-38(35)44;1-2-14-31-29(12-1)30-13-3-4-15-32(30)35-26-27(24-25-33(31)35)28-17-11-20-38-42(28)34-16-5-6-18-36(34)44(38)37-19-7-9-22-40(37)46-41-23-10-8-21-39(41)45-43(44)46;1-2-13-31-29(11-1)30-12-3-4-14-32(30)36-25-27(21-23-33(31)36)28-22-24-35-34-15-5-6-16-37(34)44(39(35)26-28)38-17-7-9-19-41(38)46-42-20-10-8-18-40(42)45-43(44)46/h1-30H;3*1-26H
InChIKeyIMPDSPJHPCBWOL-UHFFFAOYSA-N
XLogP44.98
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms190
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002406.92
LogP ≤ 544.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];2-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];2'-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];4-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];2-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];2'-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];4-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?
The IUPAC name of 2-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];2-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];2'-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];4-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] (CID 163651448) is 2-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];2-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];2'-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];4-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole].
What is the SMILES notation for 2-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];2-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];2'-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];4-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?
The canonical SMILES for 2-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];2-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];2'-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];4-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] is c1ccc2c(c1)-c1c(-c3ccc4c5ccccc5c5ccccc5c4c3)cccc1C21c2ccccc2-n2c1nc1ccccc12.c1ccc2c(c1)-c1ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc1C21c2ccccc2-n2c1nc1ccccc12.c1ccc2c(c1)-c1ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc1C21c2ccccc2-n2c1nc1ccccc12.c1ccc2c(c1)-c1ccccc1C21c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)ccc2-n2c1nc1ccccc12.
What is the InChIKey of 2-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];2-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];2'-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];4-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?
The InChIKey is IMPDSPJHPCBWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2.3C44H26N2/c1-2-16-33-31(14-1)15-13-22-36(33)48-39-20-5-3-18-37(39)47(38-19-4-6-21-40(38)48)32-28-29-35-34-17-7-8-23-41(34)50(43(35)30-32)42-24-9-11-26-45(42)52-46-27-12-10-25-44(46)51-49(50)52;1-2-13-31-29(11-1)30-12-3-4-14-32(30)36-25-27(21-23-33(31)36)28-22-24-41-39(26-28)44(43-45-40-19-9-10-20-42(40)46(41)43)37-17-7-5-15-34(37)35-16-6-8-18-38(35)44;1-2-14-31-29(12-1)30-13-3-4-15-32(30)35-26-27(24-25-33(31)35)28-17-11-20-38-42(28)34-16-5-6-18-36(34)44(38)37-19-7-9-22-40(37)46-41-23-10-8-21-39(41)45-43(44)46;1-2-13-31-29(11-1)30-12-3-4-14-32(30)36-25-27(21-23-33(31)36)28-22-24-35-34-15-5-6-16-37(34)44(39(35)26-28)38-17-7-9-19-41(38)46-42-20-10-8-18-40(42)45-43(44)46/h1-30H;3*1-26H.
What are the key properties of 2-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];2-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];2'-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];4-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?
2-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];2-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];2'-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];4-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] has a molecular weight of 2406.92 g/mol, XLogP of 44.98, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];2-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];2'-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole];4-triphenylen-2-ylspiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] is sourced from PubChem (CID 163651448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).