N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-fluorocyclohexa-1,3-dien-1-yl)-N-phenylaniline;ethane

C44H37FN2 — CID 145025100

IUPACN-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-fluorocyclohexa-1,3-dien-1-yl)-N-phenylaniline;ethane
SMILESCC.FC1=CC=C(c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)CC1
InChIInChI=1S/C42H31FN2.C2H6/c43-34-22-14-30(15-23-34)31-16-24-36(25-17-31)44(35-8-2-1-3-9-35)37-26-18-32(19-27-37)33-20-28-38(29-21-33)45-41-12-6-4-10-39(41)40-11-5-7-13-42(40)45;1-2/h1-14,16-22,24-29H,15,23H2;1-2H3
InChIKeyRWSNHVYWRLCZLH-UHFFFAOYSA-N
MW612.79 g/mol
LogP12.98
Rot. Bonds6

About N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-fluorocyclohexa-1,3-dien-1-yl)-N-phenylaniline;ethane

N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-fluorocyclohexa-1,3-dien-1-yl)-N-phenylaniline;ethane (PubChem CID 145025100) has the molecular formula C44H37FN2 and a molecular weight of 612.79 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-fluorocyclohexa-1,3-dien-1-yl)-N-phenylaniline;ethane.

Molecular Properties

Compound NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-fluorocyclohexa-1,3-dien-1-yl)-N-phenylaniline;ethane
PubChem CID145025100
Molecular FormulaC44H37FN2
Molecular Weight612.79 g/mol
Exact Mass612.29
IUPAC NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-fluorocyclohexa-1,3-dien-1-yl)-N-phenylaniline;ethane
SMILESCC.FC1=CC=C(c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)CC1
InChIInChI=1S/C42H31FN2.C2H6/c43-34-22-14-30(15-23-34)31-16-24-36(25-17-31)44(35-8-2-1-3-9-35)37-26-18-32(19-27-37)33-20-28-38(29-21-33)45-41-12-6-4-10-39(41)40-11-5-7-13-42(40)45;1-2/h1-14,16-22,24-29H,15,23H2;1-2H3
InChIKeyRWSNHVYWRLCZLH-UHFFFAOYSA-N
XLogP12.98
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.79
LogP ≤ 512.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 160833805
N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 90296019
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
9-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 126598546
N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline
CID 20608008
3-N-(4-carbazol-9-ylphenyl)-1-N,5-N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 88673333
4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline
CID 71493884
N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585271
4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981
N-(4-fluorophenyl)-4-[9-(4-methylphenyl)carbazol-3-yl]-N-phenylaniline
CID 90194000
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-fluorocyclohexa-1,3-dien-1-yl)-N-phenylaniline;ethane?
The IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-fluorocyclohexa-1,3-dien-1-yl)-N-phenylaniline;ethane (CID 145025100) is N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-fluorocyclohexa-1,3-dien-1-yl)-N-phenylaniline;ethane.
What is the SMILES notation for N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-fluorocyclohexa-1,3-dien-1-yl)-N-phenylaniline;ethane?
The canonical SMILES for N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-fluorocyclohexa-1,3-dien-1-yl)-N-phenylaniline;ethane is CC.FC1=CC=C(c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)CC1.
What is the InChIKey of N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-fluorocyclohexa-1,3-dien-1-yl)-N-phenylaniline;ethane?
The InChIKey is RWSNHVYWRLCZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31FN2.C2H6/c43-34-22-14-30(15-23-34)31-16-24-36(25-17-31)44(35-8-2-1-3-9-35)37-26-18-32(19-27-37)33-20-28-38(29-21-33)45-41-12-6-4-10-39(41)40-11-5-7-13-42(40)45;1-2/h1-14,16-22,24-29H,15,23H2;1-2H3.
What are the key properties of N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-fluorocyclohexa-1,3-dien-1-yl)-N-phenylaniline;ethane?
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-fluorocyclohexa-1,3-dien-1-yl)-N-phenylaniline;ethane has a molecular weight of 612.79 g/mol, XLogP of 12.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-fluorocyclohexa-1,3-dien-1-yl)-N-phenylaniline;ethane is sourced from PubChem (CID 145025100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).