2-(6-phenanthren-9-ylnaphthalen-2-yl)-8-phenyldibenzofuran

C42H26O — CID 58569217

IUPAC2-(6-phenanthren-9-ylnaphthalen-2-yl)-8-phenyldibenzofuran
SMILESc1ccc(-c2ccc3oc4ccc(-c5ccc6cc(-c7cc8ccccc8c8ccccc78)ccc6c5)cc4c3c2)cc1
InChIInChI=1S/C42H26O/c1-2-8-27(9-3-1)31-18-20-41-39(24-31)40-25-32(19-21-42(40)43-41)29-14-15-30-23-34(17-16-28(30)22-29)38-26-33-10-4-5-11-35(33)36-12-6-7-13-37(36)38/h1-26H
InChIKeyXAEHMCFAUAYBJG-UHFFFAOYSA-N
MW546.67 g/mol
LogP12.05
Rot. Bonds3

About 2-(6-phenanthren-9-ylnaphthalen-2-yl)-8-phenyldibenzofuran

2-(6-phenanthren-9-ylnaphthalen-2-yl)-8-phenyldibenzofuran (PubChem CID 58569217) has the molecular formula C42H26O and a molecular weight of 546.67 g/mol. Its IUPAC name is 2-(6-phenanthren-9-ylnaphthalen-2-yl)-8-phenyldibenzofuran.

Molecular Properties

Compound Name2-(6-phenanthren-9-ylnaphthalen-2-yl)-8-phenyldibenzofuran
PubChem CID58569217
Molecular FormulaC42H26O
Molecular Weight546.67 g/mol
Exact Mass546.20
IUPAC Name2-(6-phenanthren-9-ylnaphthalen-2-yl)-8-phenyldibenzofuran
SMILESc1ccc(-c2ccc3oc4ccc(-c5ccc6cc(-c7cc8ccccc8c8ccccc78)ccc6c5)cc4c3c2)cc1
InChIInChI=1S/C42H26O/c1-2-8-27(9-3-1)31-18-20-41-39(24-31)40-25-32(19-21-42(40)43-41)29-14-15-30-23-34(17-16-28(30)22-29)38-26-33-10-4-5-11-35(33)36-12-6-7-13-37(36)38/h1-26H
InChIKeyXAEHMCFAUAYBJG-UHFFFAOYSA-N
XLogP12.05
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.67
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran
CID 58569083
2-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)-8-phenanthren-9-yldibenzofuran
CID 58569484
2-[6-(9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)naphthalen-2-yl]-8-phenyldibenzofuran
CID 58569882
9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene
CID 158676895
2,8-bis(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran;2,8-bis(6-phenylnaphthalen-2-yl)dibenzofuran;2,8-bis(7-phenylnaphthalen-2-yl)dibenzofuran;2-[7-(cyclodecapentaenyl)naphthalen-2-yl]-8-(7-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran
CID 158865776
6,18-di(chrysen-5-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6-(6-naphthalen-2-ylnaphthalen-2-yl)-18-(3-phenanthren-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;6-(6-naphthalen-2-ylnaphthalen-2-yl)-18-(4-phenanthren-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;6-naphthalen-2-yl-18-(3-phenanthren-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;6-(3-phenanthren-9-ylphenyl)-18-(6-phenylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
CID 161308564
8-naphthalen-2-yl-2-[3-(7-phenanthren-9-ylnaphthalen-2-yl)phenyl]dibenzofuran-3-ol
CID 143904550
6,18-di(chrysen-5-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6-(6-naphthalen-2-ylnaphthalen-2-yl)-18-(3-phenanthren-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;6-(6-naphthalen-2-ylnaphthalen-2-yl)-18-(4-phenanthren-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;6-naphthalen-2-yl-18-(7-phenanthren-9-ylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6-naphthalen-2-yl-18-(3-phenanthren-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;6-naphthalen-2-yl-18-[6-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6-(3-phenanthren-9-ylphenyl)-18-(6-phenylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
CID 157450502
2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]triphenylene;2-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]triphenylene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene;2-[4-(4-triphenylen-2-ylphenyl)phenyl]triphenylene
CID 159620221
5,16-bis(3,5-diphenylphenyl)-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;5,16-bis(3-phenylphenyl)-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;5,16-bis(4-phenylphenyl)-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;5,16-di(phenanthren-9-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
CID 162234449
4-(10-dibenzofuran-4-yl-2-phenanthren-9-ylanthracen-9-yl)dibenzofuran;2-(10-dibenzofuran-2-yl-2-phenylanthracen-9-yl)dibenzofuran;9,10-dinaphthalen-2-yl-2-phenylanthracene;2-(2-phenyl-10-triphenylen-2-ylanthracen-9-yl)triphenylene
CID 158427881
2,8-di(chrysen-6-yl)dibenzofuran
CID 87692920

Frequently Asked Questions

What is the IUPAC name of 2-(6-phenanthren-9-ylnaphthalen-2-yl)-8-phenyldibenzofuran?
The IUPAC name of 2-(6-phenanthren-9-ylnaphthalen-2-yl)-8-phenyldibenzofuran (CID 58569217) is 2-(6-phenanthren-9-ylnaphthalen-2-yl)-8-phenyldibenzofuran.
What is the SMILES notation for 2-(6-phenanthren-9-ylnaphthalen-2-yl)-8-phenyldibenzofuran?
The canonical SMILES for 2-(6-phenanthren-9-ylnaphthalen-2-yl)-8-phenyldibenzofuran is c1ccc(-c2ccc3oc4ccc(-c5ccc6cc(-c7cc8ccccc8c8ccccc78)ccc6c5)cc4c3c2)cc1.
What is the InChIKey of 2-(6-phenanthren-9-ylnaphthalen-2-yl)-8-phenyldibenzofuran?
The InChIKey is XAEHMCFAUAYBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26O/c1-2-8-27(9-3-1)31-18-20-41-39(24-31)40-25-32(19-21-42(40)43-41)29-14-15-30-23-34(17-16-28(30)22-29)38-26-33-10-4-5-11-35(33)36-12-6-7-13-37(36)38/h1-26H.
What are the key properties of 2-(6-phenanthren-9-ylnaphthalen-2-yl)-8-phenyldibenzofuran?
2-(6-phenanthren-9-ylnaphthalen-2-yl)-8-phenyldibenzofuran has a molecular weight of 546.67 g/mol, XLogP of 12.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-phenanthren-9-ylnaphthalen-2-yl)-8-phenyldibenzofuran is sourced from PubChem (CID 58569217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).