5-chrysen-3-yl-12-phenylphosphindolo[3,2-c]carbazole 12-oxide

C42H26NOP — CID 121310710

IUPAC5-chrysen-3-yl-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
SMILESO=P1(c2ccccc2)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc2ccc3c4ccccc4ccc3c2c1
InChIInChI=1S/C42H26NOP/c44-45(30-11-2-1-3-12-30)40-17-9-7-14-34(40)35-24-25-39-41(42(35)45)36-15-6-8-16-38(36)43(39)29-21-18-28-20-22-32-31-13-5-4-10-27(31)19-23-33(32)37(28)26-29/h1-26H
InChIKeyPXVUTGJVCKANJA-UHFFFAOYSA-N
MW591.65 g/mol
LogP9.86
Rot. Bonds2

About 5-chrysen-3-yl-12-phenylphosphindolo[3,2-c]carbazole 12-oxide

5-chrysen-3-yl-12-phenylphosphindolo[3,2-c]carbazole 12-oxide (PubChem CID 121310710) has the molecular formula C42H26NOP and a molecular weight of 591.65 g/mol. Its IUPAC name is 5-chrysen-3-yl-12-phenylphosphindolo[3,2-c]carbazole 12-oxide.

Molecular Properties

Compound Name5-chrysen-3-yl-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
PubChem CID121310710
Molecular FormulaC42H26NOP
Molecular Weight591.65 g/mol
Exact Mass591.18
IUPAC Name5-chrysen-3-yl-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
SMILESO=P1(c2ccccc2)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc2ccc3c4ccccc4ccc3c2c1
InChIInChI=1S/C42H26NOP/c44-45(30-11-2-1-3-12-30)40-17-9-7-14-34(40)35-24-25-39-41(42(35)45)36-15-6-8-16-38(36)43(39)29-21-18-28-20-22-32-31-13-5-4-10-27(31)19-23-33(32)37(28)26-29/h1-26H
InChIKeyPXVUTGJVCKANJA-UHFFFAOYSA-N
XLogP9.86
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.65
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

12-phenyl-5-(9-phenylcarbazol-2-yl)phosphindolo[3,2-c]carbazole 12-oxide
CID 121310614
5-[4-(4-naphthalen-2-ylphenyl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310677
12-phenyl-5-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]phosphindolo[3,2-c]carbazole 12-oxide
CID 121310656
5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310611
5-(9,10-dinaphthalen-1-ylanthracen-2-yl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide;5-(9,10-diphenylanthracen-2-yl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide;5-(10-naphthalen-2-ylanthracen-9-yl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 157412399
5-(3,5-diphenylphenyl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310570
N-naphthalen-2-yl-N-[4-[4-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]naphthalen-2-amine
CID 121310702
5-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide;5-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide;12-phenyl-5-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]phosphindolo[3,2-c]carbazole 12-oxide
CID 161379261
5-(4-isocyanophenyl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 140713872
3-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 121310641
5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310631
5-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310688

Frequently Asked Questions

What is the IUPAC name of 5-chrysen-3-yl-12-phenylphosphindolo[3,2-c]carbazole 12-oxide?
The IUPAC name of 5-chrysen-3-yl-12-phenylphosphindolo[3,2-c]carbazole 12-oxide (CID 121310710) is 5-chrysen-3-yl-12-phenylphosphindolo[3,2-c]carbazole 12-oxide.
What is the SMILES notation for 5-chrysen-3-yl-12-phenylphosphindolo[3,2-c]carbazole 12-oxide?
The canonical SMILES for 5-chrysen-3-yl-12-phenylphosphindolo[3,2-c]carbazole 12-oxide is O=P1(c2ccccc2)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc2ccc3c4ccccc4ccc3c2c1.
What is the InChIKey of 5-chrysen-3-yl-12-phenylphosphindolo[3,2-c]carbazole 12-oxide?
The InChIKey is PXVUTGJVCKANJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26NOP/c44-45(30-11-2-1-3-12-30)40-17-9-7-14-34(40)35-24-25-39-41(42(35)45)36-15-6-8-16-38(36)43(39)29-21-18-28-20-22-32-31-13-5-4-10-27(31)19-23-33(32)37(28)26-29/h1-26H.
What are the key properties of 5-chrysen-3-yl-12-phenylphosphindolo[3,2-c]carbazole 12-oxide?
5-chrysen-3-yl-12-phenylphosphindolo[3,2-c]carbazole 12-oxide has a molecular weight of 591.65 g/mol, XLogP of 9.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chrysen-3-yl-12-phenylphosphindolo[3,2-c]carbazole 12-oxide is sourced from PubChem (CID 121310710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).