5-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide;5-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide

C94H66N2O2P2 — CID 158459406

IUPAC5-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide;5-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(-n4c5ccccc5c5c6c(ccc54)-c4ccccc4P6(=O)c4ccccc4)cc3)cccc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)-c4ccccc4P6(=O)c4ccccc4)c4ccccc34)cc21
InChIInChI=1S/C49H34NOP.C45H32NOP/c1-49(2)41-21-11-8-17-35(41)36-25-24-31(30-42(36)49)33-26-28-44(37-18-7-6-16-34(33)37)50-43-22-12-9-20-40(43)47-45(50)29-27-39-38-19-10-13-23-46(38)52(51,48(39)47)32-14-4-3-5-15-32;1-45(2)37-19-9-6-16-35(37)42-32(18-12-20-38(42)45)29-23-25-30(26-24-29)46-39-21-10-7-17-36(39)43-40(46)28-27-34-33-15-8-11-22-41(33)48(47,44(34)43)31-13-4-3-5-14-31/h3-30H,1-2H3;3-28H,1-2H3
InChIKeyHEZDCZKZTCFLEO-UHFFFAOYSA-N
MW1317.52 g/mol
LogP21.91
Rot. Bonds6

About 5-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide;5-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide

5-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide;5-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide (PubChem CID 158459406) has the molecular formula C94H66N2O2P2 and a molecular weight of 1317.52 g/mol. Its IUPAC name is 5-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide;5-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide.

Molecular Properties

Compound Name5-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide;5-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
PubChem CID158459406
Molecular FormulaC94H66N2O2P2
Molecular Weight1317.52 g/mol
Exact Mass1316.46
IUPAC Name5-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide;5-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(-n4c5ccccc5c5c6c(ccc54)-c4ccccc4P6(=O)c4ccccc4)cc3)cccc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)-c4ccccc4P6(=O)c4ccccc4)c4ccccc34)cc21
InChIInChI=1S/C49H34NOP.C45H32NOP/c1-49(2)41-21-11-8-17-35(41)36-25-24-31(30-42(36)49)33-26-28-44(37-18-7-6-16-34(33)37)50-43-22-12-9-20-40(43)47-45(50)29-27-39-38-19-10-13-23-46(38)52(51,48(39)47)32-14-4-3-5-15-32;1-45(2)37-19-9-6-16-35(37)42-32(18-12-20-38(42)45)29-23-25-30(26-24-29)46-39-21-10-7-17-36(39)43-40(46)28-27-34-33-15-8-11-22-41(33)48(47,44(34)43)31-13-4-3-5-14-31/h3-30H,1-2H3;3-28H,1-2H3
InChIKeyHEZDCZKZTCFLEO-UHFFFAOYSA-N
XLogP21.91
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001317.52
LogP ≤ 521.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide;5-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310611
5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310631
5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310651
5-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310688
11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[2,3-a]carbazole 12-oxide
CID 121310437
9-[4-(9,9-dimethylfluoren-4-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166960980
9,9-dimethyl-7-[10-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)anthracen-9-yl]fluorene-2-carbonitrile
CID 121310650
5-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
CID 121310310
5-[4-(4-naphthalen-2-ylphenyl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310677
12-phenyl-5-(9-phenylcarbazol-2-yl)phosphindolo[3,2-c]carbazole 12-oxide
CID 121310614
5-(3,5-diphenylphenyl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310570
11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 118487938

Frequently Asked Questions

What is the IUPAC name of 5-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide;5-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide?
The IUPAC name of 5-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide;5-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide (CID 158459406) is 5-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide;5-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide.
What is the SMILES notation for 5-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide;5-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide?
The canonical SMILES for 5-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide;5-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide is CC1(C)c2ccccc2-c2c(-c3ccc(-n4c5ccccc5c5c6c(ccc54)-c4ccccc4P6(=O)c4ccccc4)cc3)cccc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)-c4ccccc4P6(=O)c4ccccc4)c4ccccc34)cc21.
What is the InChIKey of 5-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide;5-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide?
The InChIKey is HEZDCZKZTCFLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34NOP.C45H32NOP/c1-49(2)41-21-11-8-17-35(41)36-25-24-31(30-42(36)49)33-26-28-44(37-18-7-6-16-34(33)37)50-43-22-12-9-20-40(43)47-45(50)29-27-39-38-19-10-13-23-46(38)52(51,48(39)47)32-14-4-3-5-15-32;1-45(2)37-19-9-6-16-35(37)42-32(18-12-20-38(42)45)29-23-25-30(26-24-29)46-39-21-10-7-17-36(39)43-40(46)28-27-34-33-15-8-11-22-41(33)48(47,44(34)43)31-13-4-3-5-14-31/h3-30H,1-2H3;3-28H,1-2H3.
What are the key properties of 5-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide;5-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide?
5-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide;5-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide has a molecular weight of 1317.52 g/mol, XLogP of 21.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide;5-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide is sourced from PubChem (CID 158459406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).