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

C48H35NO — CID 176777823

IUPAC9-tert-butyl-3-[11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-6-yl]carbazole
SMILESCC(C)(C)n1c2ccccc2c2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4c3oc3ccccc34)ccc21
InChIInChI=1S/C48H35NO/c1-48(2,3)49-41-21-10-8-16-36(41)40-29-33(27-28-42(40)49)45-38-18-7-6-17-37(38)44(46-39-19-9-11-22-43(39)50-47(45)46)32-25-23-31(24-26-32)35-20-12-14-30-13-4-5-15-34(30)35/h4-29H,1-3H3
InChIKeyWHAUBTWDPKLOJC-UHFFFAOYSA-N
MW641.81 g/mol
LogP13.76
Rot. Bonds3

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

9-tert-butyl-3-[11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-6-yl]carbazole (PubChem CID 176777823) has the molecular formula C48H35NO and a molecular weight of 641.81 g/mol. Its IUPAC name is 9-tert-butyl-3-[11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-6-yl]carbazole.

Molecular Properties

Compound Name9-tert-butyl-3-[11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-6-yl]carbazole
PubChem CID176777823
Molecular FormulaC48H35NO
Molecular Weight641.81 g/mol
Exact Mass641.27
IUPAC Name9-tert-butyl-3-[11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-6-yl]carbazole
SMILESCC(C)(C)n1c2ccccc2c2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4c3oc3ccccc34)ccc21
InChIInChI=1S/C48H35NO/c1-48(2,3)49-41-21-10-8-16-36(41)40-29-33(27-28-42(40)49)45-38-18-7-6-17-37(38)44(46-39-19-9-11-22-43(39)50-47(45)46)32-25-23-31(24-26-32)35-20-12-14-30-13-4-5-15-34(30)35/h4-29H,1-3H3
InChIKeyWHAUBTWDPKLOJC-UHFFFAOYSA-N
XLogP13.76
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.81
LogP ≤ 513.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-dibenzofuran-1-yl-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran
CID 176777808
9-tert-butyl-1-(11-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-6-yl)-5-phenylcarbazole
CID 176777822
6-(9,9-dimethylfluoren-2-yl)-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran
CID 176777650
9-methyl-3-[6-(4-naphthalen-2-ylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]carbazole
CID 176777757
9-methyl-3-[11-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-6-yl]carbazole
CID 176777807
3-(6-naphthalen-2-ylnaphtho[3,2-b][1]benzofuran-11-yl)-9-phenylcarbazole
CID 176777793
6-(9,9-dimethylfluoren-2-yl)-11-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran
CID 176777836
9,22-dinaphthalen-1-yl-5,18-diphenyl-16,30-dioxaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3,5,7,9,11,13,17(29),18,20,22,24,26-tetradecaene
CID 59147732
11-naphthalen-2-yl-6-(9-phenyldibenzofuran-3-yl)naphtho[2,3-b][1]benzofuran
CID 176777646
11-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122426995
3-dibenzofuran-4-yl-9-(3,5-dinaphthalen-1-ylphenyl)carbazole
CID 142356757
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 158628764

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-3-[11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-6-yl]carbazole?
The IUPAC name of 9-tert-butyl-3-[11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-6-yl]carbazole (CID 176777823) is 9-tert-butyl-3-[11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-6-yl]carbazole.
What is the SMILES notation for 9-tert-butyl-3-[11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-6-yl]carbazole?
The canonical SMILES for 9-tert-butyl-3-[11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-6-yl]carbazole is CC(C)(C)n1c2ccccc2c2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4c3oc3ccccc34)ccc21.
What is the InChIKey of 9-tert-butyl-3-[11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-6-yl]carbazole?
The InChIKey is WHAUBTWDPKLOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35NO/c1-48(2,3)49-41-21-10-8-16-36(41)40-29-33(27-28-42(40)49)45-38-18-7-6-17-37(38)44(46-39-19-9-11-22-43(39)50-47(45)46)32-25-23-31(24-26-32)35-20-12-14-30-13-4-5-15-34(30)35/h4-29H,1-3H3.
What are the key properties of 9-tert-butyl-3-[11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-6-yl]carbazole?
9-tert-butyl-3-[11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-6-yl]carbazole has a molecular weight of 641.81 g/mol, XLogP of 13.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-3-[11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-6-yl]carbazole is sourced from PubChem (CID 176777823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).