3-[1-(9,9-dihexylfluoren-2-yl)ethenyl]-9-hexylcarbazole

C45H55N — CID 174775748

IUPAC3-[1-(9,9-dihexylfluoren-2-yl)ethenyl]-9-hexylcarbazole
SMILESC=C(c1ccc2c(c1)C(CCCCCC)(CCCCCC)c1ccccc1-2)c1ccc2c(c1)c1ccccc1n2CCCCCC
InChIInChI=1S/C45H55N/c1-5-8-11-18-29-45(30-19-12-9-6-2)41-23-16-14-21-37(41)38-27-25-36(33-42(38)45)34(4)35-26-28-44-40(32-35)39-22-15-17-24-43(39)46(44)31-20-13-10-7-3/h14-17,21-28,32-33H,4-13,18-20,29-31H2,1-3H3
InChIKeyQAZYZSPERCWDTG-UHFFFAOYSA-N
MW609.94 g/mol
LogP13.64
Rot. Bonds17

About 3-[1-(9,9-dihexylfluoren-2-yl)ethenyl]-9-hexylcarbazole

3-[1-(9,9-dihexylfluoren-2-yl)ethenyl]-9-hexylcarbazole (PubChem CID 174775748) has the molecular formula C45H55N and a molecular weight of 609.94 g/mol. Its IUPAC name is 3-[1-(9,9-dihexylfluoren-2-yl)ethenyl]-9-hexylcarbazole.

Molecular Properties

Compound Name3-[1-(9,9-dihexylfluoren-2-yl)ethenyl]-9-hexylcarbazole
PubChem CID174775748
Molecular FormulaC45H55N
Molecular Weight609.94 g/mol
Exact Mass609.43
IUPAC Name3-[1-(9,9-dihexylfluoren-2-yl)ethenyl]-9-hexylcarbazole
SMILESC=C(c1ccc2c(c1)C(CCCCCC)(CCCCCC)c1ccccc1-2)c1ccc2c(c1)c1ccccc1n2CCCCCC
InChIInChI=1S/C45H55N/c1-5-8-11-18-29-45(30-19-12-9-6-2)41-23-16-14-21-37(41)38-27-25-36(33-42(38)45)34(4)35-26-28-44-40(32-35)39-22-15-17-24-43(39)46(44)31-20-13-10-7-3/h14-17,21-28,32-33H,4-13,18-20,29-31H2,1-3H3
InChIKeyQAZYZSPERCWDTG-UHFFFAOYSA-N
XLogP13.64
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.94
LogP ≤ 513.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5,5,15,25,25-pentahexyl-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,18(26),19,21,23-dodecaene
CID 102171788
1,3-bis(9,9-dihexylfluoren-2-yl)propane-1,3-dione
CID 141179723
[4-[10-[4-(9,9-dihexylfluorene-2-carbonyl)phenyl]anthracen-9-yl]phenyl]-(9,9-dihexylfluoren-2-yl)methanone
CID 102418466
9-[6-[2-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-7-[7-[7-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]dibenzothiophen-3-yl]-9-(6-carbazol-9-ylhexyl)fluoren-9-yl]hexyl]carbazole
CID 102527375
9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene
CID 142821206
9,9-didecylfluorene
CID 5135289
9,9-di(docosyl)fluorene
CID 22568526
9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
1-[4-(9,9-dihexylfluoren-2-yl)phenyl]ethanone
CID 142722854
(9-pentylcarbazol-3-yl)-phenylmethanone
CID 56651356
benzene;9-octylcarbazole
CID 175067369

Frequently Asked Questions

What is the IUPAC name of 3-[1-(9,9-dihexylfluoren-2-yl)ethenyl]-9-hexylcarbazole?
The IUPAC name of 3-[1-(9,9-dihexylfluoren-2-yl)ethenyl]-9-hexylcarbazole (CID 174775748) is 3-[1-(9,9-dihexylfluoren-2-yl)ethenyl]-9-hexylcarbazole.
What is the SMILES notation for 3-[1-(9,9-dihexylfluoren-2-yl)ethenyl]-9-hexylcarbazole?
The canonical SMILES for 3-[1-(9,9-dihexylfluoren-2-yl)ethenyl]-9-hexylcarbazole is C=C(c1ccc2c(c1)C(CCCCCC)(CCCCCC)c1ccccc1-2)c1ccc2c(c1)c1ccccc1n2CCCCCC.
What is the InChIKey of 3-[1-(9,9-dihexylfluoren-2-yl)ethenyl]-9-hexylcarbazole?
The InChIKey is QAZYZSPERCWDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H55N/c1-5-8-11-18-29-45(30-19-12-9-6-2)41-23-16-14-21-37(41)38-27-25-36(33-42(38)45)34(4)35-26-28-44-40(32-35)39-22-15-17-24-43(39)46(44)31-20-13-10-7-3/h14-17,21-28,32-33H,4-13,18-20,29-31H2,1-3H3.
What are the key properties of 3-[1-(9,9-dihexylfluoren-2-yl)ethenyl]-9-hexylcarbazole?
3-[1-(9,9-dihexylfluoren-2-yl)ethenyl]-9-hexylcarbazole has a molecular weight of 609.94 g/mol, XLogP of 13.64, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(9,9-dihexylfluoren-2-yl)ethenyl]-9-hexylcarbazole is sourced from PubChem (CID 174775748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).