9-(3-butan-2-ylphenyl)-3-[6-[9-(3-butan-2-ylphenyl)carbazol-3-yl]-9H-fluoren-3-yl]carbazole

C57H48N2 — CID 158090751

IUPAC9-(3-butan-2-ylphenyl)-3-[6-[9-(3-butan-2-ylphenyl)carbazol-3-yl]-9H-fluoren-3-yl]carbazole
SMILESCCC(C)c1cccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)-c4cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc(C(C)CC)c6)ccc4C5)ccc32)c1
InChIInChI=1S/C57H48N2/c1-5-36(3)38-13-11-15-46(30-38)58-54-19-9-7-17-48(54)52-34-42(25-27-56(52)58)40-21-23-44-29-45-24-22-41(33-51(45)50(44)32-40)43-26-28-57-53(35-43)49-18-8-10-20-55(49)59(57)47-16-12-14-39(31-47)37(4)6-2/h7-28,30-37H,5-6,29H2,1-4H3
InChIKeyMPZSURUURXFKSW-UHFFFAOYSA-N
MW761.02 g/mol
LogP15.81
Rot. Bonds8

About 9-(3-butan-2-ylphenyl)-3-[6-[9-(3-butan-2-ylphenyl)carbazol-3-yl]-9H-fluoren-3-yl]carbazole

9-(3-butan-2-ylphenyl)-3-[6-[9-(3-butan-2-ylphenyl)carbazol-3-yl]-9H-fluoren-3-yl]carbazole (PubChem CID 158090751) has the molecular formula C57H48N2 and a molecular weight of 761.02 g/mol. Its IUPAC name is 9-(3-butan-2-ylphenyl)-3-[6-[9-(3-butan-2-ylphenyl)carbazol-3-yl]-9H-fluoren-3-yl]carbazole.

Molecular Properties

Compound Name9-(3-butan-2-ylphenyl)-3-[6-[9-(3-butan-2-ylphenyl)carbazol-3-yl]-9H-fluoren-3-yl]carbazole
PubChem CID158090751
Molecular FormulaC57H48N2
Molecular Weight761.02 g/mol
Exact Mass760.38
IUPAC Name9-(3-butan-2-ylphenyl)-3-[6-[9-(3-butan-2-ylphenyl)carbazol-3-yl]-9H-fluoren-3-yl]carbazole
SMILESCCC(C)c1cccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)-c4cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc(C(C)CC)c6)ccc4C5)ccc32)c1
InChIInChI=1S/C57H48N2/c1-5-36(3)38-13-11-15-46(30-38)58-54-19-9-7-17-48(54)52-34-42(25-27-56(52)58)40-21-23-44-29-45-24-22-41(33-51(45)50(44)32-40)43-26-28-57-53(35-43)49-18-8-10-20-55(49)59(57)47-16-12-14-39(31-47)37(4)6-2/h7-28,30-37H,5-6,29H2,1-4H3
InChIKeyMPZSURUURXFKSW-UHFFFAOYSA-N
XLogP15.81
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.02
LogP ≤ 515.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(4-propylphenyl)-3-[6-[9-(4-propylphenyl)carbazol-3-yl]-9H-fluoren-3-yl]carbazole
CID 158482267
3-butan-2-yl-9-phenylcarbazole
CID 23520668
3-(6-butan-2-yl-9H-fluoren-3-yl)-9-phenylcarbazole;3-(6-tert-butyl-9H-fluoren-3-yl)-9-phenylcarbazole;9-(2-butylphenyl)-3-(9H-fluoren-3-yl)carbazole;9-(3-ethylphenyl)-3-(9H-fluoren-3-yl)carbazole
CID 158353190
9-[4-[6-(4-ethylphenyl)-9H-fluoren-3-yl]phenyl]carbazole
CID 159891621
3-(18-chloro-10-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaenyl)-9-phenylcarbazole
CID 146886402
9-[6-[3-(6-carbazol-9-yl-9H-fluoren-3-yl)phenyl]-9H-fluoren-3-yl]carbazole;bis(prop-1-ene)
CID 144541446
3-(3-butan-2-ylcarbazol-9-yl)-N,N-diphenylaniline
CID 163736875
9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole
CID 59464809
9-[8-[6-(8-carbazol-9-yldibenzofuran-2-yl)-9H-fluoren-3-yl]dibenzofuran-2-yl]carbazole
CID 143456606
2-[9-(9H-fluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241600
6-carbazol-9-yl-2-(9H-fluoren-3-yl)-9-methylcarbazole
CID 121465243
9-[3-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-3,6-bis(3-carbazol-9-ylphenyl)carbazole
CID 153162679

Frequently Asked Questions

What is the IUPAC name of 9-(3-butan-2-ylphenyl)-3-[6-[9-(3-butan-2-ylphenyl)carbazol-3-yl]-9H-fluoren-3-yl]carbazole?
The IUPAC name of 9-(3-butan-2-ylphenyl)-3-[6-[9-(3-butan-2-ylphenyl)carbazol-3-yl]-9H-fluoren-3-yl]carbazole (CID 158090751) is 9-(3-butan-2-ylphenyl)-3-[6-[9-(3-butan-2-ylphenyl)carbazol-3-yl]-9H-fluoren-3-yl]carbazole.
What is the SMILES notation for 9-(3-butan-2-ylphenyl)-3-[6-[9-(3-butan-2-ylphenyl)carbazol-3-yl]-9H-fluoren-3-yl]carbazole?
The canonical SMILES for 9-(3-butan-2-ylphenyl)-3-[6-[9-(3-butan-2-ylphenyl)carbazol-3-yl]-9H-fluoren-3-yl]carbazole is CCC(C)c1cccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)-c4cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc(C(C)CC)c6)ccc4C5)ccc32)c1.
What is the InChIKey of 9-(3-butan-2-ylphenyl)-3-[6-[9-(3-butan-2-ylphenyl)carbazol-3-yl]-9H-fluoren-3-yl]carbazole?
The InChIKey is MPZSURUURXFKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H48N2/c1-5-36(3)38-13-11-15-46(30-38)58-54-19-9-7-17-48(54)52-34-42(25-27-56(52)58)40-21-23-44-29-45-24-22-41(33-51(45)50(44)32-40)43-26-28-57-53(35-43)49-18-8-10-20-55(49)59(57)47-16-12-14-39(31-47)37(4)6-2/h7-28,30-37H,5-6,29H2,1-4H3.
What are the key properties of 9-(3-butan-2-ylphenyl)-3-[6-[9-(3-butan-2-ylphenyl)carbazol-3-yl]-9H-fluoren-3-yl]carbazole?
9-(3-butan-2-ylphenyl)-3-[6-[9-(3-butan-2-ylphenyl)carbazol-3-yl]-9H-fluoren-3-yl]carbazole has a molecular weight of 761.02 g/mol, XLogP of 15.81, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-butan-2-ylphenyl)-3-[6-[9-(3-butan-2-ylphenyl)carbazol-3-yl]-9H-fluoren-3-yl]carbazole is sourced from PubChem (CID 158090751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).