2-phenyl-9-(7-phenylindolo[2,3-b]carbazol-5-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole

C45H29N3O — CID 126614495

IUPAC2-phenyl-9-(7-phenylindolo[2,3-b]carbazol-5-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
SMILESc1ccc(C2Nc3ccc4ccc5cc(-n6c7ccccc7c7cc8c9ccccc9n(-c9ccccc9)c8cc76)ccc5c4c3O2)cc1
InChIInChI=1S/C45H29N3O/c1-3-11-29(12-4-1)45-46-38-24-21-28-19-20-30-25-32(22-23-33(30)43(28)44(38)49-45)48-40-18-10-8-16-35(40)37-26-36-34-15-7-9-17-39(34)47(41(36)27-42(37)48)31-13-5-2-6-14-31/h1-27,45-46H
InChIKeyJWNUOHGXTNKAHM-UHFFFAOYSA-N
MW627.75 g/mol
LogP11.69
Rot. Bonds3

About 2-phenyl-9-(7-phenylindolo[2,3-b]carbazol-5-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole

2-phenyl-9-(7-phenylindolo[2,3-b]carbazol-5-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole (PubChem CID 126614495) has the molecular formula C45H29N3O and a molecular weight of 627.75 g/mol. Its IUPAC name is 2-phenyl-9-(7-phenylindolo[2,3-b]carbazol-5-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole.

Molecular Properties

Compound Name2-phenyl-9-(7-phenylindolo[2,3-b]carbazol-5-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
PubChem CID126614495
Molecular FormulaC45H29N3O
Molecular Weight627.75 g/mol
Exact Mass627.23
IUPAC Name2-phenyl-9-(7-phenylindolo[2,3-b]carbazol-5-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
SMILESc1ccc(C2Nc3ccc4ccc5cc(-n6c7ccccc7c7cc8c9ccccc9n(-c9ccccc9)c8cc76)ccc5c4c3O2)cc1
InChIInChI=1S/C45H29N3O/c1-3-11-29(12-4-1)45-46-38-24-21-28-19-20-30-25-32(22-23-33(30)43(28)44(38)49-45)48-40-18-10-8-16-35(40)37-26-36-34-15-7-9-17-39(34)47(41(36)27-42(37)48)31-13-5-2-6-14-31/h1-27,45-46H
InChIKeyJWNUOHGXTNKAHM-UHFFFAOYSA-N
XLogP11.69
TPSA31.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.75
LogP ≤ 511.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-9-[6-(9-phenylcarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
CID 167045813
2-phenyl-9-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazole
CID 126613502
7-(4-carbazol-9-ylphenyl)-5-phenanthren-2-ylindolo[2,3-b]carbazole
CID 134168535
2-cyclohexa-2,4-dien-1-yl-9-(9-phenylcarbazol-3-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
CID 155108541
10-(4,6-diphenyl-1,3,5-triazinan-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
CID 129095246
2-[4-(5-naphthalen-2-ylbenzo[b]carbazol-3-yl)phenyl]-5-phenyl-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 167454007
2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 118504684
6-(3,5-dipyridin-4-ylphenyl)-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole
CID 134390771
9-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 118361345
2-phenyl-9-(7-phenylindolo[2,3-b]carbazol-5-yl)naphtho[1,2-e][1,3]benzothiazole
CID 129095223
2-carbazol-9-yl-9-phenylcarbazole
CID 118335086
2-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
CID 126614519

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9-(7-phenylindolo[2,3-b]carbazol-5-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole?
The IUPAC name of 2-phenyl-9-(7-phenylindolo[2,3-b]carbazol-5-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole (CID 126614495) is 2-phenyl-9-(7-phenylindolo[2,3-b]carbazol-5-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole.
What is the SMILES notation for 2-phenyl-9-(7-phenylindolo[2,3-b]carbazol-5-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole?
The canonical SMILES for 2-phenyl-9-(7-phenylindolo[2,3-b]carbazol-5-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole is c1ccc(C2Nc3ccc4ccc5cc(-n6c7ccccc7c7cc8c9ccccc9n(-c9ccccc9)c8cc76)ccc5c4c3O2)cc1.
What is the InChIKey of 2-phenyl-9-(7-phenylindolo[2,3-b]carbazol-5-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole?
The InChIKey is JWNUOHGXTNKAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3O/c1-3-11-29(12-4-1)45-46-38-24-21-28-19-20-30-25-32(22-23-33(30)43(28)44(38)49-45)48-40-18-10-8-16-35(40)37-26-36-34-15-7-9-17-39(34)47(41(36)27-42(37)48)31-13-5-2-6-14-31/h1-27,45-46H.
What are the key properties of 2-phenyl-9-(7-phenylindolo[2,3-b]carbazol-5-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole?
2-phenyl-9-(7-phenylindolo[2,3-b]carbazol-5-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole has a molecular weight of 627.75 g/mol, XLogP of 11.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-9-(7-phenylindolo[2,3-b]carbazol-5-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole is sourced from PubChem (CID 126614495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).