potassium;9-butan-2-ylcarbazole;2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-ylanthracene;phosphanide;vanadium

C88H71KNPV — CID 157215207

IUPACpotassium;9-butan-2-ylcarbazole;2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-ylanthracene;phosphanide;vanadium
SMILESCC(C)(C)c1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1.CCC(C)n1c2ccccc2c2ccccc21.[K+].[PH2-].[V].c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc2c1
InChIInChI=1S/C38H30.C34H22.C16H17N.K.H2P.V/c1-38(2,3)31-20-21-34-35(24-31)37(30-19-17-26-11-5-7-13-28(26)23-30)33-15-9-8-14-32(33)36(34)29-18-16-25-10-4-6-12-27(25)22-29;1-3-11-25-21-27(19-17-23(25)9-1)33-29-13-5-7-15-31(29)34(32-16-8-6-14-30(32)33)28-20-18-24-10-2-4-12-26(24)22-28;1-3-12(2)17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17;;;/h4-24H,1-3H3;1-22H;4-12H,3H2,1-2H3;;1H2;/q;;;+1;-1;
InChIKeyFEEBXVODDWTKNL-UHFFFAOYSA-N
MW1263.56 g/mol
LogP22.66
Rot. Bonds6

About potassium;9-butan-2-ylcarbazole;2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-ylanthracene;phosphanide;vanadium

potassium;9-butan-2-ylcarbazole;2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-ylanthracene;phosphanide;vanadium (PubChem CID 157215207) has the molecular formula C88H71KNPV and a molecular weight of 1263.56 g/mol. Its IUPAC name is potassium;9-butan-2-ylcarbazole;2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-ylanthracene;phosphanide;vanadium.

Molecular Properties

Compound Namepotassium;9-butan-2-ylcarbazole;2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-ylanthracene;phosphanide;vanadium
PubChem CID157215207
Molecular FormulaC88H71KNPV
Molecular Weight1263.56 g/mol
Exact Mass1262.44
IUPAC Namepotassium;9-butan-2-ylcarbazole;2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-ylanthracene;phosphanide;vanadium
SMILESCC(C)(C)c1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1.CCC(C)n1c2ccccc2c2ccccc21.[K+].[PH2-].[V].c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc2c1
InChIInChI=1S/C38H30.C34H22.C16H17N.K.H2P.V/c1-38(2,3)31-20-21-34-35(24-31)37(30-19-17-26-11-5-7-13-28(26)23-30)33-15-9-8-14-32(33)36(34)29-18-16-25-10-4-6-12-27(25)22-29;1-3-11-25-21-27(19-17-23(25)9-1)33-29-13-5-7-15-31(29)34(32-16-8-6-14-30(32)33)28-20-18-24-10-2-4-12-26(24)22-28;1-3-12(2)17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17;;;/h4-24H,1-3H3;1-22H;4-12H,3H2,1-2H3;;1H2;/q;;;+1;-1;
InChIKeyFEEBXVODDWTKNL-UHFFFAOYSA-N
XLogP22.66
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001263.56
LogP ≤ 522.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-[9-(4-tert-butylphenyl)-6-carbazol-9-yl-10-naphthalen-2-ylanthracen-2-yl]carbazole
CID 59220991
7-tert-butyl-3,10-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4(9),5,7,10,12,15,17,19,21-undecaene
CID 58453918
CID 157215473
CID 157215473
potassium;9-butan-2-ylcarbazole;methane;phosphanide;vanadium
CID 159100330
2-tert-butyl-9,10-dinaphthalen-2-yl-6-phenylanthracene
CID 59342691
9-[3-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-(2-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)phenyl]carbazole;9-[3-(3-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 161317938
9-[4-(2-tert-butyl-10-phenylanthracen-9-yl)phenyl]-3-naphthalen-2-ylcarbazole;3-naphthalen-1-yl-9-[4-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-naphthalen-2-yl-9-[4-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 161107291
2-tert-butyl-9-naphthalen-2-yl-10-[2-[3-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 58965769
5,24-bis(4-tert-butylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10,12,14,16(40),17,19,21,23,26,29,31,33,35(39),36-nonadecaene;13,18,32,37-tetratert-butyl-5,24-bis(4-tert-butylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetratert-butyl-5,24-dinaphthalen-2-yl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene
CID 159097162
9-butan-2-yl-2-(trifluoromethyl)carbazole
CID 139447892
7-tert-butyl-3,10-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4(9),5,7,10,12,15,17,19,21-undecaene;18-tert-butyl-3,10-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaene;7-tert-butyl-3,10-dinaphthalen-2-yl-18-phenylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4(9),5,7,10,12,15(20),16,18,21-undecaene
CID 157104770
CID 157214656
CID 157214656

Frequently Asked Questions

What is the IUPAC name of potassium;9-butan-2-ylcarbazole;2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-ylanthracene;phosphanide;vanadium?
The IUPAC name of potassium;9-butan-2-ylcarbazole;2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-ylanthracene;phosphanide;vanadium (CID 157215207) is potassium;9-butan-2-ylcarbazole;2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-ylanthracene;phosphanide;vanadium.
What is the SMILES notation for potassium;9-butan-2-ylcarbazole;2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-ylanthracene;phosphanide;vanadium?
The canonical SMILES for potassium;9-butan-2-ylcarbazole;2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-ylanthracene;phosphanide;vanadium is CC(C)(C)c1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1.CCC(C)n1c2ccccc2c2ccccc21.[K+].[PH2-].[V].c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc2c1.
What is the InChIKey of potassium;9-butan-2-ylcarbazole;2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-ylanthracene;phosphanide;vanadium?
The InChIKey is FEEBXVODDWTKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30.C34H22.C16H17N.K.H2P.V/c1-38(2,3)31-20-21-34-35(24-31)37(30-19-17-26-11-5-7-13-28(26)23-30)33-15-9-8-14-32(33)36(34)29-18-16-25-10-4-6-12-27(25)22-29;1-3-11-25-21-27(19-17-23(25)9-1)33-29-13-5-7-15-31(29)34(32-16-8-6-14-30(32)33)28-20-18-24-10-2-4-12-26(24)22-28;1-3-12(2)17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17;;;/h4-24H,1-3H3;1-22H;4-12H,3H2,1-2H3;;1H2;/q;;;+1;-1;.
What are the key properties of potassium;9-butan-2-ylcarbazole;2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-ylanthracene;phosphanide;vanadium?
potassium;9-butan-2-ylcarbazole;2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-ylanthracene;phosphanide;vanadium has a molecular weight of 1263.56 g/mol, XLogP of 22.66, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;9-butan-2-ylcarbazole;2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-ylanthracene;phosphanide;vanadium is sourced from PubChem (CID 157215207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).