6-(9,9-dimethylfluoren-2-yl)-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran

C47H32O — CID 176777650

IUPAC6-(9,9-dimethylfluoren-2-yl)-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4c3oc3ccccc34)cc21
InChIInChI=1S/C47H32O/c1-47(2)40-20-9-7-15-35(40)36-27-26-32(28-41(36)47)44-38-17-6-5-16-37(38)43(45-39-18-8-10-21-42(39)48-46(44)45)31-24-22-30(23-25-31)34-19-11-13-29-12-3-4-14-33(29)34/h3-28H,1-2H3
InChIKeyIGSOPQDKFOMSCX-UHFFFAOYSA-N
MW612.77 g/mol
LogP13.20
Rot. Bonds3

About 6-(9,9-dimethylfluoren-2-yl)-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran

6-(9,9-dimethylfluoren-2-yl)-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran (PubChem CID 176777650) has the molecular formula C47H32O and a molecular weight of 612.77 g/mol. Its IUPAC name is 6-(9,9-dimethylfluoren-2-yl)-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name6-(9,9-dimethylfluoren-2-yl)-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran
PubChem CID176777650
Molecular FormulaC47H32O
Molecular Weight612.77 g/mol
Exact Mass612.25
IUPAC Name6-(9,9-dimethylfluoren-2-yl)-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4c3oc3ccccc34)cc21
InChIInChI=1S/C47H32O/c1-47(2)40-20-9-7-15-35(40)36-27-26-32(28-41(36)47)44-38-17-6-5-16-37(38)43(45-39-18-8-10-21-42(39)48-46(44)45)31-24-22-30(23-25-31)34-19-11-13-29-12-3-4-14-33(29)34/h3-28H,1-2H3
InChIKeyIGSOPQDKFOMSCX-UHFFFAOYSA-N
XLogP13.20
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.77
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(9,9-dimethylfluoren-2-yl)-11-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran
CID 176777836
11-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran
CID 176777590
16-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene
CID 130185529
17,17,34,34-tetramethyl-14,31-bis(4-naphthalen-1-ylphenyl)-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene
CID 142357653
6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene
CID 130213656
9,9-dimethyl-6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene
CID 130213201
18,18,21,21-tetramethyl-24-pyren-1-yl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaene
CID 139476744
6-dibenzofuran-1-yl-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran
CID 176777808
N-(4-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 170542002
15-[10-(4-tert-butylphenyl)anthracen-9-yl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene
CID 139477793
11-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene
CID 134487897
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene
CID 159887994

Frequently Asked Questions

What is the IUPAC name of 6-(9,9-dimethylfluoren-2-yl)-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran?
The IUPAC name of 6-(9,9-dimethylfluoren-2-yl)-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran (CID 176777650) is 6-(9,9-dimethylfluoren-2-yl)-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 6-(9,9-dimethylfluoren-2-yl)-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 6-(9,9-dimethylfluoren-2-yl)-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4c3oc3ccccc34)cc21.
What is the InChIKey of 6-(9,9-dimethylfluoren-2-yl)-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran?
The InChIKey is IGSOPQDKFOMSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32O/c1-47(2)40-20-9-7-15-35(40)36-27-26-32(28-41(36)47)44-38-17-6-5-16-37(38)43(45-39-18-8-10-21-42(39)48-46(44)45)31-24-22-30(23-25-31)34-19-11-13-29-12-3-4-14-33(29)34/h3-28H,1-2H3.
What are the key properties of 6-(9,9-dimethylfluoren-2-yl)-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran?
6-(9,9-dimethylfluoren-2-yl)-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran has a molecular weight of 612.77 g/mol, XLogP of 13.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9,9-dimethylfluoren-2-yl)-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 176777650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).