1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;2-tert-butyl-9H-fluorene;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;4-tert-butyl-9-phenylcarbazole

C115H113N3O2 — CID 165040867

IUPAC1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;2-tert-butyl-9H-fluorene;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;4-tert-butyl-9-phenylcarbazole
SMILESCC(C)(C)c1ccc2c(c1)Cc1ccccc1-2.CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.CC(C)(C)c1ccc2c3ccccc3n(-c3ccccc3)c2c1.CC(C)(C)c1ccc2oc3ccccc3c2c1.CC(C)(C)c1cccc2c1c1ccccc1n2-c1ccccc1.CC(C)(C)c1cccc2oc3ccccc3c12
InChIInChI=1S/3C22H21N.C17H18.2C16H16O/c1-22(2,3)18-13-9-15-20-21(18)17-12-7-8-14-19(17)23(20)16-10-5-4-6-11-16;1-22(2,3)16-13-14-21-19(15-16)18-11-7-8-12-20(18)23(21)17-9-5-4-6-10-17;1-22(2,3)16-13-14-19-18-11-7-8-12-20(18)23(21(19)15-16)17-9-5-4-6-10-17;1-17(2,3)14-8-9-16-13(11-14)10-12-6-4-5-7-15(12)16;1-16(2,3)12-8-6-10-14-15(12)11-7-4-5-9-13(11)17-14;1-16(2,3)11-8-9-15-13(10-11)12-6-4-5-7-14(12)17-15/h3*4-15H,1-3H3;4-9,11H,10H2,1-3H3;2*4-10H,1-3H3
InChIKeyOCJYUJNJSBFTPV-UHFFFAOYSA-N
MW1569.19 g/mol
LogP32.57
Rot. Bonds3

About 1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;2-tert-butyl-9H-fluorene;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;4-tert-butyl-9-phenylcarbazole

1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;2-tert-butyl-9H-fluorene;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;4-tert-butyl-9-phenylcarbazole (PubChem CID 165040867) has the molecular formula C115H113N3O2 and a molecular weight of 1569.19 g/mol. Its IUPAC name is 1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;2-tert-butyl-9H-fluorene;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;4-tert-butyl-9-phenylcarbazole.

Molecular Properties

Compound Name1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;2-tert-butyl-9H-fluorene;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;4-tert-butyl-9-phenylcarbazole
PubChem CID165040867
Molecular FormulaC115H113N3O2
Molecular Weight1569.19 g/mol
Exact Mass1567.88
IUPAC Name1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;2-tert-butyl-9H-fluorene;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;4-tert-butyl-9-phenylcarbazole
SMILESCC(C)(C)c1ccc2c(c1)Cc1ccccc1-2.CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.CC(C)(C)c1ccc2c3ccccc3n(-c3ccccc3)c2c1.CC(C)(C)c1ccc2oc3ccccc3c2c1.CC(C)(C)c1cccc2c1c1ccccc1n2-c1ccccc1.CC(C)(C)c1cccc2oc3ccccc3c12
InChIInChI=1S/3C22H21N.C17H18.2C16H16O/c1-22(2,3)18-13-9-15-20-21(18)17-12-7-8-14-19(17)23(20)16-10-5-4-6-11-16;1-22(2,3)16-13-14-21-19(15-16)18-11-7-8-12-20(18)23(21)17-9-5-4-6-10-17;1-22(2,3)16-13-14-19-18-11-7-8-12-20(18)23(21(19)15-16)17-9-5-4-6-10-17;1-17(2,3)14-8-9-16-13(11-14)10-12-6-4-5-7-15(12)16;1-16(2,3)12-8-6-10-14-15(12)11-7-4-5-9-13(11)17-14;1-16(2,3)11-8-9-15-13(10-11)12-6-4-5-7-14(12)17-15/h3*4-15H,1-3H3;4-9,11H,10H2,1-3H3;2*4-10H,1-3H3
InChIKeyOCJYUJNJSBFTPV-UHFFFAOYSA-N
XLogP32.57
TPSA41.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001569.19
LogP ≤ 532.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;2-tert-butyl-9H-fluorene;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;4-tert-butyl-9-phenylcarbazole with MolForge

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Related Compounds

5-tert-butyl-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 129035048
10-tert-butyl-5-phenyl-7H-indeno[2,1-b]carbazole
CID 58489669
3,6-ditert-butyl-9-(9H-fluoren-2-yl)carbazole
CID 158328553
4-(9-dibenzofuran-2-ylcarbazol-2-yl)-3,9-diphenylcarbazole
CID 90321713
9-dibenzofuran-2-yl-3-phenyl-2-(9-phenylcarbazol-4-yl)carbazole
CID 90321522
5-(9H-fluoren-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 130417397
3,6-di(dibenzofuran-2-yl)-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole
CID 166037350
9-[2-(7-tert-butyl-9-phenylcarbazol-3-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 176824256
3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole
CID 139423478
7-(4-tert-butylphenyl)-[1]benzofuro[2,3-b]carbazole;5-(4-tert-butylphenyl)-[1]benzofuro[3,2-c]carbazole;5-(4-tert-butylphenyl)-[1]benzothiolo[3,2-c]carbazole;11-(4-tert-butylphenyl)-5-phenylindolo[3,2-b]carbazole
CID 159380468
2-[9-(9H-fluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241600
21-(9-phenylcarbazol-3-yl)-6,11-dioxa-21-azahexacyclo[14.4.1.05,20.07,19.010,18.012,17]henicosa-1(20),2,4,7(19),8,10(18),12,14,16-nonaene
CID 135130599

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;2-tert-butyl-9H-fluorene;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;4-tert-butyl-9-phenylcarbazole?
The IUPAC name of 1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;2-tert-butyl-9H-fluorene;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;4-tert-butyl-9-phenylcarbazole (CID 165040867) is 1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;2-tert-butyl-9H-fluorene;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;4-tert-butyl-9-phenylcarbazole.
What is the SMILES notation for 1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;2-tert-butyl-9H-fluorene;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;4-tert-butyl-9-phenylcarbazole?
The canonical SMILES for 1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;2-tert-butyl-9H-fluorene;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;4-tert-butyl-9-phenylcarbazole is CC(C)(C)c1ccc2c(c1)Cc1ccccc1-2.CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.CC(C)(C)c1ccc2c3ccccc3n(-c3ccccc3)c2c1.CC(C)(C)c1ccc2oc3ccccc3c2c1.CC(C)(C)c1cccc2c1c1ccccc1n2-c1ccccc1.CC(C)(C)c1cccc2oc3ccccc3c12.
What is the InChIKey of 1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;2-tert-butyl-9H-fluorene;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;4-tert-butyl-9-phenylcarbazole?
The InChIKey is OCJYUJNJSBFTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C22H21N.C17H18.2C16H16O/c1-22(2,3)18-13-9-15-20-21(18)17-12-7-8-14-19(17)23(20)16-10-5-4-6-11-16;1-22(2,3)16-13-14-21-19(15-16)18-11-7-8-12-20(18)23(21)17-9-5-4-6-10-17;1-22(2,3)16-13-14-19-18-11-7-8-12-20(18)23(21(19)15-16)17-9-5-4-6-10-17;1-17(2,3)14-8-9-16-13(11-14)10-12-6-4-5-7-15(12)16;1-16(2,3)12-8-6-10-14-15(12)11-7-4-5-9-13(11)17-14;1-16(2,3)11-8-9-15-13(10-11)12-6-4-5-7-14(12)17-15/h3*4-15H,1-3H3;4-9,11H,10H2,1-3H3;2*4-10H,1-3H3.
What are the key properties of 1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;2-tert-butyl-9H-fluorene;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;4-tert-butyl-9-phenylcarbazole?
1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;2-tert-butyl-9H-fluorene;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;4-tert-butyl-9-phenylcarbazole has a molecular weight of 1569.19 g/mol, XLogP of 32.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;2-tert-butyl-9H-fluorene;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;4-tert-butyl-9-phenylcarbazole is sourced from PubChem (CID 165040867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).