5-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide

C55H38NOP — CID 121310310

IUPAC5-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
SMILESCC1(C)c2cc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)-c4ccccc4P6(=O)c4ccccc4)cc3)ccc2-c2ccc(-c3cccc4ccccc34)cc21
InChIInChI=1S/C55H38NOP/c1-55(2)49-31-37(25-29-43(49)44-30-26-38(32-50(44)55)42-20-12-14-36-13-6-7-17-41(36)42)35-23-27-39(28-24-35)56-51-21-10-8-18-45(51)47-34-54-48(33-52(47)56)46-19-9-11-22-53(46)58(54,57)40-15-4-3-5-16-40/h3-34H,1-2H3
InChIKeyMTUWVWKDENTREV-UHFFFAOYSA-N
MW759.89 g/mol
LogP13.20
Rot. Bonds4

About 5-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide

5-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide (PubChem CID 121310310) has the molecular formula C55H38NOP and a molecular weight of 759.89 g/mol. Its IUPAC name is 5-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide.

Molecular Properties

Compound Name5-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
PubChem CID121310310
Molecular FormulaC55H38NOP
Molecular Weight759.89 g/mol
Exact Mass759.27
IUPAC Name5-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
SMILESCC1(C)c2cc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)-c4ccccc4P6(=O)c4ccccc4)cc3)ccc2-c2ccc(-c3cccc4ccccc34)cc21
InChIInChI=1S/C55H38NOP/c1-55(2)49-31-37(25-29-43(49)44-30-26-38(32-50(44)55)42-20-12-14-36-13-6-7-17-41(36)42)35-23-27-39(28-24-35)56-51-21-10-8-18-45(51)47-34-54-48(33-52(47)56)46-19-9-11-22-53(46)58(54,57)40-15-4-3-5-16-40/h3-34H,1-2H3
InChIKeyMTUWVWKDENTREV-UHFFFAOYSA-N
XLogP13.20
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.89
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
CID 121310256
5-[4-(9,9-dimethyl-6-phenylfluoren-3-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
CID 121310315
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
CID 121310284
5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310611
5-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310688
11-phenyl-5-(4-quinolin-7-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide
CID 121310222
N-[4-[4-(11-oxo-11-phenylphosphindolo[3,2-b]carbazol-5-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121310285
9,9-dimethyl-7-[10-(11-oxo-11-phenylphosphindolo[3,2-b]carbazol-5-yl)anthracen-9-yl]fluorene-2-carbonitrile
CID 121310273
5,11-diphenylphosphindolo[3,2-b]carbazole 11-oxide;5-naphthalen-1-yl-11-phenylphosphindolo[3,2-b]carbazole 11-oxide;5-naphthalen-2-yl-11-phenylphosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(2-phenylphenyl)phosphindolo[3,2-b]carbazole 11-oxide
CID 158937555
5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310631
5-(4-naphthalen-2-ylphenyl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(4-quinolin-7-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(4-quinolin-8-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide
CID 157358110
5-phenanthren-1-yl-11-phenylphosphindolo[3,2-b]carbazole 11-oxide;5-phenanthren-2-yl-11-phenylphosphindolo[3,2-b]carbazole 11-oxide;5-phenanthren-9-yl-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
CID 158880248

Frequently Asked Questions

What is the IUPAC name of 5-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide?
The IUPAC name of 5-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide (CID 121310310) is 5-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide.
What is the SMILES notation for 5-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide?
The canonical SMILES for 5-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide is CC1(C)c2cc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)-c4ccccc4P6(=O)c4ccccc4)cc3)ccc2-c2ccc(-c3cccc4ccccc34)cc21.
What is the InChIKey of 5-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide?
The InChIKey is MTUWVWKDENTREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38NOP/c1-55(2)49-31-37(25-29-43(49)44-30-26-38(32-50(44)55)42-20-12-14-36-13-6-7-17-41(36)42)35-23-27-39(28-24-35)56-51-21-10-8-18-45(51)47-34-54-48(33-52(47)56)46-19-9-11-22-53(46)58(54,57)40-15-4-3-5-16-40/h3-34H,1-2H3.
What are the key properties of 5-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide?
5-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide has a molecular weight of 759.89 g/mol, XLogP of 13.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide is sourced from PubChem (CID 121310310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).