11-[4-(8-fluorodibenzofuran-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole

C42H25FN2O — CID 126580179

IUPAC11-[4-(8-fluorodibenzofuran-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
SMILESFc1ccc2oc3c(-c4ccc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccccc5)cc4)cccc3c2c1
InChIInChI=1S/C42H25FN2O/c43-27-19-22-41-36(23-27)33-14-8-13-30(42(33)46-41)26-17-20-29(21-18-26)45-38-16-7-5-12-32(38)35-24-39-34(25-40(35)45)31-11-4-6-15-37(31)44(39)28-9-2-1-3-10-28/h1-25H
InChIKeyNZCYHZSLMGNVGF-UHFFFAOYSA-N
MW592.67 g/mol
LogP11.59
Rot. Bonds3

About 11-[4-(8-fluorodibenzofuran-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole

11-[4-(8-fluorodibenzofuran-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole (PubChem CID 126580179) has the molecular formula C42H25FN2O and a molecular weight of 592.67 g/mol. Its IUPAC name is 11-[4-(8-fluorodibenzofuran-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-[4-(8-fluorodibenzofuran-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
PubChem CID126580179
Molecular FormulaC42H25FN2O
Molecular Weight592.67 g/mol
Exact Mass592.20
IUPAC Name11-[4-(8-fluorodibenzofuran-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
SMILESFc1ccc2oc3c(-c4ccc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccccc5)cc4)cccc3c2c1
InChIInChI=1S/C42H25FN2O/c43-27-19-22-41-36(23-27)33-14-8-13-30(42(33)46-41)26-17-20-29(21-18-26)45-38-16-7-5-12-32(38)35-24-39-34(25-40(35)45)31-11-4-6-15-37(31)44(39)28-9-2-1-3-10-28/h1-25H
InChIKeyNZCYHZSLMGNVGF-UHFFFAOYSA-N
XLogP11.59
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.67
LogP ≤ 511.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-([1]Benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(3-fluorocarbazol-9-yl)benzonitrile
CID 129291104
3-(9-Fluoro-[1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-(6-fluoro-[1]benzofuro[3,2-a]carbazol-12-yl)phenyl]benzonitrile
CID 129291269
14-[5-(9-Oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-3-(trifluoromethyl)-2,4-bis[3-(trifluoromethyl)phenyl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 163647614
(z)-2-((9-Ethyl-9h-carbazol-3-yl)methylene)-5-fluorobenzofuran-3(2h)-one
CID 129886157
2-(9-Ethyl-9h-carbazol-3-yl)-6-fluoro-4h-chromen-4-one
CID 129886195
1-(2,3,6,7-Tetraphenylfuro[2,3-f]indol-5-yl)ethanone
CID 134947530
1-(1,2-Diphenylfuro[3,2-b]carbazol-9-yl)ethanone
CID 134947553
2,8-Di(9H-carbazol-9-yl)dibenzo[b,d]furan
CID 59348257
Czbdf
CID 91972134
(8-(9H-Carbazol-9-yl)dibenzo[b,d]furan-2-yl)diphenylphosphine oxide
CID 101543939
11-Phenylbenzofuro[3,2-b]carbazole
CID 102324620
N-([1,1'-biphenyl]-4-yl)-3'-(9H-carbazol-9-yl)-N-(4-(dibenzo[b,d]furan-4-yl)phenyl)-[1,1'-biphenyl]-4-amine
CID 118952247

Frequently Asked Questions

What is the IUPAC name of 11-[4-(8-fluorodibenzofuran-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole?
The IUPAC name of 11-[4-(8-fluorodibenzofuran-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole (CID 126580179) is 11-[4-(8-fluorodibenzofuran-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole.
What is the SMILES notation for 11-[4-(8-fluorodibenzofuran-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole?
The canonical SMILES for 11-[4-(8-fluorodibenzofuran-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole is Fc1ccc2oc3c(-c4ccc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccccc5)cc4)cccc3c2c1.
What is the InChIKey of 11-[4-(8-fluorodibenzofuran-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole?
The InChIKey is NZCYHZSLMGNVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25FN2O/c43-27-19-22-41-36(23-27)33-14-8-13-30(42(33)46-41)26-17-20-29(21-18-26)45-38-16-7-5-12-32(38)35-24-39-34(25-40(35)45)31-11-4-6-15-37(31)44(39)28-9-2-1-3-10-28/h1-25H.
What are the key properties of 11-[4-(8-fluorodibenzofuran-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole?
11-[4-(8-fluorodibenzofuran-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole has a molecular weight of 592.67 g/mol, XLogP of 11.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(8-fluorodibenzofuran-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole is sourced from PubChem (CID 126580179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).