11-naphtho[2,1-b][1]benzofuran-8-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole

C52H32N2O — CID 140944219

IUPAC11-naphtho[2,1-b][1]benzofuran-8-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4cccc5c4oc4ccc6ccccc6c45)c3)cc2)cc1
InChIInChI=1S/C52H32N2O/c1-2-12-33(13-3-1)34-24-26-35(27-25-34)37-15-10-16-38(30-37)53-45-21-8-6-18-40(45)43-32-49-44(31-48(43)53)41-19-7-9-22-46(41)54(49)47-23-11-20-42-51-39-17-5-4-14-36(39)28-29-50(51)55-52(42)47/h1-32H
InChIKeyDRKRSFNLZZZKDA-UHFFFAOYSA-N
MW700.84 g/mol
LogP14.27
Rot. Bonds4

About 11-naphtho[2,1-b][1]benzofuran-8-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole

11-naphtho[2,1-b][1]benzofuran-8-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole (PubChem CID 140944219) has the molecular formula C52H32N2O and a molecular weight of 700.84 g/mol. Its IUPAC name is 11-naphtho[2,1-b][1]benzofuran-8-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-naphtho[2,1-b][1]benzofuran-8-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
PubChem CID140944219
Molecular FormulaC52H32N2O
Molecular Weight700.84 g/mol
Exact Mass700.25
IUPAC Name11-naphtho[2,1-b][1]benzofuran-8-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4cccc5c4oc4ccc6ccccc6c45)c3)cc2)cc1
InChIInChI=1S/C52H32N2O/c1-2-12-33(13-3-1)34-24-26-35(27-25-34)37-15-10-16-38(30-37)53-45-21-8-6-18-40(45)43-32-49-44(31-48(43)53)41-19-7-9-22-46(41)54(49)47-23-11-20-42-51-39-17-5-4-14-36(39)28-29-50(51)55-52(42)47/h1-32H
InChIKeyDRKRSFNLZZZKDA-UHFFFAOYSA-N
XLogP14.27
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.84
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

11-dibenzofuran-4-yl-8-[9-(3-phenylphenyl)carbazol-3-yl]benzo[a]carbazole
CID 167243675
8-(9-dibenzofuran-4-ylcarbazol-3-yl)-11-(3-phenylphenyl)benzo[a]carbazole
CID 167243442
3-[3-(4-phenylphenyl)phenyl]-14-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 122465787
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 170072505
12-[2-[4-phenanthren-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-8-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 155378860
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole
CID 123500568
3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 155305806
9-dibenzofuran-2-yl-3-[3-(3-phenylphenyl)phenyl]carbazole;3,6-diphenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]carbazole;3-[3-(3-phenylphenyl)phenyl]-9-[8-[3-[3-(3-phenylphenyl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]carbazole
CID 158273380
11-[3,5-bis(4-phenylphenyl)phenyl]-5-phenylindolo[3,2-b]carbazole;5-(3,5-diphenylphenyl)-2,11-diphenylindolo[3,2-b]carbazole;11-(3,5-diphenylphenyl)-5-naphthalen-1-ylindolo[3,2-b]carbazole
CID 158931818
11-(3-naphthalen-2-ylphenyl)-5-phenylindolo[3,2-b]carbazole
CID 167157338
12-phenyl-16-(3-phenylphenyl)-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-undecaene
CID 154589180
2-[9-(2-naphthalen-1-ylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 142315065

Frequently Asked Questions

What is the IUPAC name of 11-naphtho[2,1-b][1]benzofuran-8-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole?
The IUPAC name of 11-naphtho[2,1-b][1]benzofuran-8-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole (CID 140944219) is 11-naphtho[2,1-b][1]benzofuran-8-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole.
What is the SMILES notation for 11-naphtho[2,1-b][1]benzofuran-8-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole?
The canonical SMILES for 11-naphtho[2,1-b][1]benzofuran-8-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole is c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4cccc5c4oc4ccc6ccccc6c45)c3)cc2)cc1.
What is the InChIKey of 11-naphtho[2,1-b][1]benzofuran-8-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole?
The InChIKey is DRKRSFNLZZZKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O/c1-2-12-33(13-3-1)34-24-26-35(27-25-34)37-15-10-16-38(30-37)53-45-21-8-6-18-40(45)43-32-49-44(31-48(43)53)41-19-7-9-22-46(41)54(49)47-23-11-20-42-51-39-17-5-4-14-36(39)28-29-50(51)55-52(42)47/h1-32H.
What are the key properties of 11-naphtho[2,1-b][1]benzofuran-8-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole?
11-naphtho[2,1-b][1]benzofuran-8-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole has a molecular weight of 700.84 g/mol, XLogP of 14.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-naphtho[2,1-b][1]benzofuran-8-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole is sourced from PubChem (CID 140944219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).