1-bromo-8-[3-(3-phenylphenyl)phenyl]dibenzofuran

C30H19BrO — CID 138618454

IUPAC1-bromo-8-[3-(3-phenylphenyl)phenyl]dibenzofuran
SMILESBrc1cccc2oc3ccc(-c4cccc(-c5cccc(-c6ccccc6)c5)c4)cc3c12
InChIInChI=1S/C30H19BrO/c31-27-13-6-14-29-30(27)26-19-25(15-16-28(26)32-29)24-12-5-11-23(18-24)22-10-4-9-21(17-22)20-7-2-1-3-8-20/h1-19H
InChIKeyNTAMAMKHONCPRQ-UHFFFAOYSA-N
MW475.39 g/mol
LogP9.35
Rot. Bonds3

About 1-bromo-8-[3-(3-phenylphenyl)phenyl]dibenzofuran

1-bromo-8-[3-(3-phenylphenyl)phenyl]dibenzofuran (PubChem CID 138618454) has the molecular formula C30H19BrO and a molecular weight of 475.39 g/mol. Its IUPAC name is 1-bromo-8-[3-(3-phenylphenyl)phenyl]dibenzofuran.

Molecular Properties

Compound Name1-bromo-8-[3-(3-phenylphenyl)phenyl]dibenzofuran
PubChem CID138618454
Molecular FormulaC30H19BrO
Molecular Weight475.39 g/mol
Exact Mass474.06
IUPAC Name1-bromo-8-[3-(3-phenylphenyl)phenyl]dibenzofuran
SMILESBrc1cccc2oc3ccc(-c4cccc(-c5cccc(-c6ccccc6)c5)c4)cc3c12
InChIInChI=1S/C30H19BrO/c31-27-13-6-14-29-30(27)26-19-25(15-16-28(26)32-29)24-12-5-11-23(18-24)22-10-4-9-21(17-22)20-7-2-1-3-8-20/h1-19H
InChIKeyNTAMAMKHONCPRQ-UHFFFAOYSA-N
XLogP9.35
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.39
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-[3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)phenyl]-18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 118148546
5-phenyl-18-[3-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)phenyl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 142487755
1-bromo-8-phenyldibenzofuran;ethane;[6-(3-phenylphenyl)dibenzofuran-1-yl]phosphane
CID 145007051
2-bromo-8-(3-phenylphenyl)dibenzofuran
CID 90250557
5-phenyl-16-(5-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;5-phenyl-16-[4-(5-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;16-phenyl-5-[3-(16-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;16-phenyl-5-[4-(16-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene
CID 160960033
8-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 167397321
7-[3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)phenyl]-16-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene
CID 142487650
1-bromo-8-(3-phenylcyclohepta-1,3,6-trien-1-yl)dibenzofuran
CID 138618022
5,18-diphenyl-11-(3-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 58004208
(8-phenyldibenzofuran-1-yl)boronic acid
CID 123712024
5-phenyl-16-[3-(18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene
CID 142487782
2-[3-(4-phenylphenyl)phenyl]-8-(3-triphenylen-2-ylphenyl)dibenzofuran
CID 118349959

Frequently Asked Questions

What is the IUPAC name of 1-bromo-8-[3-(3-phenylphenyl)phenyl]dibenzofuran?
The IUPAC name of 1-bromo-8-[3-(3-phenylphenyl)phenyl]dibenzofuran (CID 138618454) is 1-bromo-8-[3-(3-phenylphenyl)phenyl]dibenzofuran.
What is the SMILES notation for 1-bromo-8-[3-(3-phenylphenyl)phenyl]dibenzofuran?
The canonical SMILES for 1-bromo-8-[3-(3-phenylphenyl)phenyl]dibenzofuran is Brc1cccc2oc3ccc(-c4cccc(-c5cccc(-c6ccccc6)c5)c4)cc3c12.
What is the InChIKey of 1-bromo-8-[3-(3-phenylphenyl)phenyl]dibenzofuran?
The InChIKey is NTAMAMKHONCPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19BrO/c31-27-13-6-14-29-30(27)26-19-25(15-16-28(26)32-29)24-12-5-11-23(18-24)22-10-4-9-21(17-22)20-7-2-1-3-8-20/h1-19H.
What are the key properties of 1-bromo-8-[3-(3-phenylphenyl)phenyl]dibenzofuran?
1-bromo-8-[3-(3-phenylphenyl)phenyl]dibenzofuran has a molecular weight of 475.39 g/mol, XLogP of 9.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-8-[3-(3-phenylphenyl)phenyl]dibenzofuran is sourced from PubChem (CID 138618454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).