5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide

C49H34NOP — CID 121310631

IUPAC5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4cc(-n5c6ccccc6c6c7c(ccc65)-c5ccccc5P7(=O)c5ccccc5)ccc4c3)cc21
InChIInChI=1S/C49H34NOP/c1-49(2)42-17-9-6-14-37(42)38-25-23-34(30-43(38)49)31-20-21-33-29-35(24-22-32(33)28-31)50-44-18-10-7-16-41(44)47-45(50)27-26-40-39-15-8-11-19-46(39)52(51,48(40)47)36-12-4-3-5-13-36/h3-30H,1-2H3
InChIKeyKQXUINJNDCONEF-UHFFFAOYSA-N
MW683.79 g/mol
LogP11.53
Rot. Bonds3

About 5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide

5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide (PubChem CID 121310631) has the molecular formula C49H34NOP and a molecular weight of 683.79 g/mol. Its IUPAC name is 5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide.

Molecular Properties

Compound Name5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
PubChem CID121310631
Molecular FormulaC49H34NOP
Molecular Weight683.79 g/mol
Exact Mass683.24
IUPAC Name5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4cc(-n5c6ccccc6c6c7c(ccc65)-c5ccccc5P7(=O)c5ccccc5)ccc4c3)cc21
InChIInChI=1S/C49H34NOP/c1-49(2)42-17-9-6-14-37(42)38-25-23-34(30-43(38)49)31-20-21-33-29-35(24-22-32(33)28-31)50-44-18-10-7-16-41(44)47-45(50)27-26-40-39-15-8-11-19-46(39)52(51,48(40)47)36-12-4-3-5-13-36/h3-30H,1-2H3
InChIKeyKQXUINJNDCONEF-UHFFFAOYSA-N
XLogP11.53
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.79
LogP ≤ 511.53
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-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310688
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]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
CID 121310256
5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310651
5-[4-(4-naphthalen-2-ylphenyl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310677
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
N-naphthalen-2-yl-N-[4-[4-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]naphthalen-2-amine
CID 121310702
9,9-dimethyl-7-[10-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)anthracen-9-yl]fluorene-2-carbonitrile
CID 121310650
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
9-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]carbazole
CID 118595114
9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylcarbazol-3-yl]-6-naphthalen-2-ylcarbazole
CID 162081661

Frequently Asked Questions

What is the IUPAC name of 5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide?
The IUPAC name of 5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide (CID 121310631) is 5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide.
What is the SMILES notation for 5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide?
The canonical SMILES for 5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide is CC1(C)c2ccccc2-c2ccc(-c3ccc4cc(-n5c6ccccc6c6c7c(ccc65)-c5ccccc5P7(=O)c5ccccc5)ccc4c3)cc21.
What is the InChIKey of 5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide?
The InChIKey is KQXUINJNDCONEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34NOP/c1-49(2)42-17-9-6-14-37(42)38-25-23-34(30-43(38)49)31-20-21-33-29-35(24-22-32(33)28-31)50-44-18-10-7-16-41(44)47-45(50)27-26-40-39-15-8-11-19-46(39)52(51,48(40)47)36-12-4-3-5-13-36/h3-30H,1-2H3.
What are the key properties of 5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide?
5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide has a molecular weight of 683.79 g/mol, XLogP of 11.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide is sourced from PubChem (CID 121310631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).