12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole

C42H27NO — CID 156674049

IUPAC12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)c3)c2)cc1
InChIInChI=1S/C42H27NO/c1-3-12-28(13-4-1)30-16-11-17-31(24-30)33-25-32(29-14-5-2-6-15-29)26-34(27-33)43-38-20-9-7-18-35(38)36-22-23-40-41(42(36)43)37-19-8-10-21-39(37)44-40/h1-27H
InChIKeyUCASCSZWOKMGLK-UHFFFAOYSA-N
MW561.68 g/mol
LogP11.68
Rot. Bonds4

About 12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole

12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole (PubChem CID 156674049) has the molecular formula C42H27NO and a molecular weight of 561.68 g/mol. Its IUPAC name is 12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
PubChem CID156674049
Molecular FormulaC42H27NO
Molecular Weight561.68 g/mol
Exact Mass561.21
IUPAC Name12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)c3)c2)cc1
InChIInChI=1S/C42H27NO/c1-3-12-28(13-4-1)30-16-11-17-31(24-30)33-25-32(29-14-5-2-6-15-29)26-34(27-33)43-38-20-9-7-18-35(38)36-22-23-40-41(42(36)43)37-19-8-10-21-39(37)44-40/h1-27H
InChIKeyUCASCSZWOKMGLK-UHFFFAOYSA-N
XLogP11.68
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.68
LogP ≤ 511.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

12-(3-dibenzofuran-2-ylphenyl)-[1]benzofuro[3,2-a]carbazole
CID 163673280
17,21-bis(3-phenylphenyl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene
CID 163583098
12-[3-[4,6-bis[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 126630971
3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 164705594
18-(3,5-diphenylphenyl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 122465775
12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 129141729
3-(3-phenylphenyl)-15-oxa-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaen-14-one
CID 118248424
12-[4-(3-phenylphenyl)phenyl]-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 163977496
12-phenyl-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 163960395
12-dibenzofuran-2-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598858
5-(9-dibenzofuran-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 170268239
12-[9-(3-phenylphenyl)dibenzothiophen-4-yl]-[1]benzofuro[3,2-a]carbazole
CID 170688666

Frequently Asked Questions

What is the IUPAC name of 12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole (CID 156674049) is 12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole is c1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)c3)c2)cc1.
What is the InChIKey of 12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole?
The InChIKey is UCASCSZWOKMGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NO/c1-3-12-28(13-4-1)30-16-11-17-31(24-30)33-25-32(29-14-5-2-6-15-29)26-34(27-33)43-38-20-9-7-18-35(38)36-22-23-40-41(42(36)43)37-19-8-10-21-39(37)44-40/h1-27H.
What are the key properties of 12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole?
12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole has a molecular weight of 561.68 g/mol, XLogP of 11.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 156674049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).