10,10-dimethyl-7-[10-(4-naphthalen-2-ylphenyl)-3,4-dihydroanthracen-9-yl]indeno[1,2-b][1]benzofuran

C47H34O — CID 144856949

IUPAC10,10-dimethyl-7-[10-(4-naphthalen-2-ylphenyl)-3,4-dihydroanthracen-9-yl]indeno[1,2-b][1]benzofuran
SMILESCC1(C)c2ccccc2-c2oc3cc(-c4c5c(c(-c6ccc(-c7ccc8ccccc8c7)cc6)c6ccccc46)CCC=C5)ccc3c21
InChIInChI=1S/C47H34O/c1-47(2)41-18-10-9-17-39(41)46-45(47)40-26-25-34(28-42(40)48-46)44-37-15-7-5-13-35(37)43(36-14-6-8-16-38(36)44)31-22-19-30(20-23-31)33-24-21-29-11-3-4-12-32(29)27-33/h3-5,7-13,15-28H,6,14H2,1-2H3
InChIKeyJVNNOGJCZFDBDC-UHFFFAOYSA-N
MW614.79 g/mol
LogP13.01
Rot. Bonds3

About 10,10-dimethyl-7-[10-(4-naphthalen-2-ylphenyl)-3,4-dihydroanthracen-9-yl]indeno[1,2-b][1]benzofuran

10,10-dimethyl-7-[10-(4-naphthalen-2-ylphenyl)-3,4-dihydroanthracen-9-yl]indeno[1,2-b][1]benzofuran (PubChem CID 144856949) has the molecular formula C47H34O and a molecular weight of 614.79 g/mol. Its IUPAC name is 10,10-dimethyl-7-[10-(4-naphthalen-2-ylphenyl)-3,4-dihydroanthracen-9-yl]indeno[1,2-b][1]benzofuran.

Molecular Properties

Compound Name10,10-dimethyl-7-[10-(4-naphthalen-2-ylphenyl)-3,4-dihydroanthracen-9-yl]indeno[1,2-b][1]benzofuran
PubChem CID144856949
Molecular FormulaC47H34O
Molecular Weight614.79 g/mol
Exact Mass614.26
IUPAC Name10,10-dimethyl-7-[10-(4-naphthalen-2-ylphenyl)-3,4-dihydroanthracen-9-yl]indeno[1,2-b][1]benzofuran
SMILESCC1(C)c2ccccc2-c2oc3cc(-c4c5c(c(-c6ccc(-c7ccc8ccccc8c7)cc6)c6ccccc46)CCC=C5)ccc3c21
InChIInChI=1S/C47H34O/c1-47(2)41-18-10-9-17-39(41)46-45(47)40-26-25-34(28-42(40)48-46)44-37-15-7-5-13-35(37)43(36-14-6-8-16-38(36)44)31-22-19-30(20-23-31)33-24-21-29-11-3-4-12-32(29)27-33/h3-5,7-13,15-28H,6,14H2,1-2H3
InChIKeyJVNNOGJCZFDBDC-UHFFFAOYSA-N
XLogP13.01
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.79
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

10,10-dimethyl-7-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran
CID 144856957
7-(4-tert-butylphenyl)-10-naphthalen-2-yl-9-[4-(trifluoromethyl)phenyl]-1,2-dihydroanthracene;ethane
CID 153332774
5-[10-(3-naphthalen-2-ylphenyl)-1,2-dihydroanthracen-9-yl]benzo[c]phenanthrene
CID 143811534
10,10-dimethyl-6-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran
CID 144856944
3,3-dimethyl-19-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-24-oxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 130186048
9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene
CID 144568833
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 59196621
24,24-dimethyl-20-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)-9-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),6,11,13,15,18(23),19,21-decaene
CID 163753654
10,10-dimethyl-2-[10-(3-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran
CID 144856909
2-[10-(4-phenylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 174167803
14,14-dimethyl-12-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122426120
9,10-bis(4-phenylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,10-bis(4-phenylphenyl)anthracene;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene
CID 159520005

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-7-[10-(4-naphthalen-2-ylphenyl)-3,4-dihydroanthracen-9-yl]indeno[1,2-b][1]benzofuran?
The IUPAC name of 10,10-dimethyl-7-[10-(4-naphthalen-2-ylphenyl)-3,4-dihydroanthracen-9-yl]indeno[1,2-b][1]benzofuran (CID 144856949) is 10,10-dimethyl-7-[10-(4-naphthalen-2-ylphenyl)-3,4-dihydroanthracen-9-yl]indeno[1,2-b][1]benzofuran.
What is the SMILES notation for 10,10-dimethyl-7-[10-(4-naphthalen-2-ylphenyl)-3,4-dihydroanthracen-9-yl]indeno[1,2-b][1]benzofuran?
The canonical SMILES for 10,10-dimethyl-7-[10-(4-naphthalen-2-ylphenyl)-3,4-dihydroanthracen-9-yl]indeno[1,2-b][1]benzofuran is CC1(C)c2ccccc2-c2oc3cc(-c4c5c(c(-c6ccc(-c7ccc8ccccc8c7)cc6)c6ccccc46)CCC=C5)ccc3c21.
What is the InChIKey of 10,10-dimethyl-7-[10-(4-naphthalen-2-ylphenyl)-3,4-dihydroanthracen-9-yl]indeno[1,2-b][1]benzofuran?
The InChIKey is JVNNOGJCZFDBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34O/c1-47(2)41-18-10-9-17-39(41)46-45(47)40-26-25-34(28-42(40)48-46)44-37-15-7-5-13-35(37)43(36-14-6-8-16-38(36)44)31-22-19-30(20-23-31)33-24-21-29-11-3-4-12-32(29)27-33/h3-5,7-13,15-28H,6,14H2,1-2H3.
What are the key properties of 10,10-dimethyl-7-[10-(4-naphthalen-2-ylphenyl)-3,4-dihydroanthracen-9-yl]indeno[1,2-b][1]benzofuran?
10,10-dimethyl-7-[10-(4-naphthalen-2-ylphenyl)-3,4-dihydroanthracen-9-yl]indeno[1,2-b][1]benzofuran has a molecular weight of 614.79 g/mol, XLogP of 13.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-7-[10-(4-naphthalen-2-ylphenyl)-3,4-dihydroanthracen-9-yl]indeno[1,2-b][1]benzofuran is sourced from PubChem (CID 144856949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).