1-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(5-methylbenzo[b]phosphindol-1-yl)anthracen-1-yl]-5-methylbenzo[b]phosphindole

C74H48P2 — CID 155334729

IUPAC1-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(5-methylbenzo[b]phosphindol-1-yl)anthracen-1-yl]-5-methylbenzo[b]phosphindole
SMILESCp1c2ccccc2c2c(-c3cccc4c(-c5c6cccc(-c7cccc8ccccc78)c6cc6c(-c7cccc8ccccc78)cccc56)c5cccc(-c6cccc7c6c6ccccc6p7C)c5cc34)cccc21
InChIInChI=1S/C74H48P2/c1-75-67-39-9-7-25-61(67)71-55(37-17-41-69(71)75)53-31-15-35-59-65(53)44-66-54(56-38-18-42-70-72(56)62-26-8-10-40-68(62)76(70)2)32-16-36-60(66)74(59)73-57-33-13-29-51(49-27-11-21-45-19-3-5-23-47(45)49)63(57)43-64-52(30-14-34-58(64)73)50-28-12-22-46-20-4-6-24-48(46)50/h3-44H,1-2H3
InChIKeyIBDMHTMVZDXJFZ-UHFFFAOYSA-N
MW999.15 g/mol
LogP22.60
Rot. Bonds5

About 1-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(5-methylbenzo[b]phosphindol-1-yl)anthracen-1-yl]-5-methylbenzo[b]phosphindole

1-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(5-methylbenzo[b]phosphindol-1-yl)anthracen-1-yl]-5-methylbenzo[b]phosphindole (PubChem CID 155334729) has the molecular formula C74H48P2 and a molecular weight of 999.15 g/mol. Its IUPAC name is 1-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(5-methylbenzo[b]phosphindol-1-yl)anthracen-1-yl]-5-methylbenzo[b]phosphindole.

Molecular Properties

Compound Name1-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(5-methylbenzo[b]phosphindol-1-yl)anthracen-1-yl]-5-methylbenzo[b]phosphindole
PubChem CID155334729
Molecular FormulaC74H48P2
Molecular Weight999.15 g/mol
Exact Mass998.32
IUPAC Name1-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(5-methylbenzo[b]phosphindol-1-yl)anthracen-1-yl]-5-methylbenzo[b]phosphindole
SMILESCp1c2ccccc2c2c(-c3cccc4c(-c5c6cccc(-c7cccc8ccccc78)c6cc6c(-c7cccc8ccccc78)cccc56)c5cccc(-c6cccc7c6c6ccccc6p7C)c5cc34)cccc21
InChIInChI=1S/C74H48P2/c1-75-67-39-9-7-25-61(67)71-55(37-17-41-69(71)75)53-31-15-35-59-65(53)44-66-54(56-38-18-42-70-72(56)62-26-8-10-40-68(62)76(70)2)32-16-36-60(66)74(59)73-57-33-13-29-51(49-27-11-21-45-19-3-5-23-47(45)49)63(57)43-64-52(30-14-34-58(64)73)50-28-12-22-46-20-4-6-24-48(46)50/h3-44H,1-2H3
InChIKeyIBDMHTMVZDXJFZ-UHFFFAOYSA-N
XLogP22.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500999.15
LogP ≤ 522.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-1-[8-(5-methylbenzo[b]phosphindol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzo[b]phosphindole
CID 155333270
1,9,10-trinaphthalen-1-ylanthracene
CID 58322859
11-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-naphtho[2,1-b][1]benzofuran-11-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran
CID 155334176
5-methyl-1-[8-(5-methylbenzo[b]phosphindol-1-yl)-10-spiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-ylanthracen-1-yl]benzo[b]phosphindole;5-phenyl-4-[8-(5-phenylbenzo[b]phosphindol-4-yl)-10-spiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-ylanthracen-1-yl]benzo[b]phosphindole
CID 159151083
1,10-dinaphthalen-1-ylanthracene
CID 58645117
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 22138017
10-bromo-1,8-dinaphthalen-1-ylanthracene
CID 142748884
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
CID 175282704
CID 175282704
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418

Frequently Asked Questions

What is the IUPAC name of 1-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(5-methylbenzo[b]phosphindol-1-yl)anthracen-1-yl]-5-methylbenzo[b]phosphindole?
The IUPAC name of 1-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(5-methylbenzo[b]phosphindol-1-yl)anthracen-1-yl]-5-methylbenzo[b]phosphindole (CID 155334729) is 1-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(5-methylbenzo[b]phosphindol-1-yl)anthracen-1-yl]-5-methylbenzo[b]phosphindole.
What is the SMILES notation for 1-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(5-methylbenzo[b]phosphindol-1-yl)anthracen-1-yl]-5-methylbenzo[b]phosphindole?
The canonical SMILES for 1-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(5-methylbenzo[b]phosphindol-1-yl)anthracen-1-yl]-5-methylbenzo[b]phosphindole is Cp1c2ccccc2c2c(-c3cccc4c(-c5c6cccc(-c7cccc8ccccc78)c6cc6c(-c7cccc8ccccc78)cccc56)c5cccc(-c6cccc7c6c6ccccc6p7C)c5cc34)cccc21.
What is the InChIKey of 1-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(5-methylbenzo[b]phosphindol-1-yl)anthracen-1-yl]-5-methylbenzo[b]phosphindole?
The InChIKey is IBDMHTMVZDXJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H48P2/c1-75-67-39-9-7-25-61(67)71-55(37-17-41-69(71)75)53-31-15-35-59-65(53)44-66-54(56-38-18-42-70-72(56)62-26-8-10-40-68(62)76(70)2)32-16-36-60(66)74(59)73-57-33-13-29-51(49-27-11-21-45-19-3-5-23-47(45)49)63(57)43-64-52(30-14-34-58(64)73)50-28-12-22-46-20-4-6-24-48(46)50/h3-44H,1-2H3.
What are the key properties of 1-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(5-methylbenzo[b]phosphindol-1-yl)anthracen-1-yl]-5-methylbenzo[b]phosphindole?
1-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(5-methylbenzo[b]phosphindol-1-yl)anthracen-1-yl]-5-methylbenzo[b]phosphindole has a molecular weight of 999.15 g/mol, XLogP of 22.60, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(5-methylbenzo[b]phosphindol-1-yl)anthracen-1-yl]-5-methylbenzo[b]phosphindole is sourced from PubChem (CID 155334729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).