4-[5-fluoro-3,8-diphenoxy-11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazol-6-yl]-N,N-diphenylaniline

C72H48FN3O2 — CID 90126268

IUPAC4-[5-fluoro-3,8-diphenoxy-11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazol-6-yl]-N,N-diphenylaniline
SMILESFc1c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2c3cc(Oc4ccccc4)ccc3n(-c3ccc(-c4ccccc4)cc3)c2c2c1c1cc(Oc3ccccc3)ccc1n2-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C72H48FN3O2/c73-70-67(53-35-41-56(42-36-53)74(54-23-11-3-12-24-54)55-25-13-4-14-26-55)68-63-47-61(77-59-27-15-5-16-28-59)43-45-65(63)75(57-37-31-51(32-38-57)49-19-7-1-8-20-49)71(68)72-69(70)64-48-62(78-60-29-17-6-18-30-60)44-46-66(64)76(72)58-39-33-52(34-40-58)50-21-9-2-10-22-50/h1-48H
InChIKeyLWAAQQFFUMJGCY-UHFFFAOYSA-N
MW1006.19 g/mol
LogP20.08
Rot. Bonds12

About 4-[5-fluoro-3,8-diphenoxy-11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazol-6-yl]-N,N-diphenylaniline

4-[5-fluoro-3,8-diphenoxy-11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazol-6-yl]-N,N-diphenylaniline (PubChem CID 90126268) has the molecular formula C72H48FN3O2 and a molecular weight of 1006.19 g/mol. Its IUPAC name is 4-[5-fluoro-3,8-diphenoxy-11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazol-6-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[5-fluoro-3,8-diphenoxy-11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazol-6-yl]-N,N-diphenylaniline
PubChem CID90126268
Molecular FormulaC72H48FN3O2
Molecular Weight1006.19 g/mol
Exact Mass1005.37
IUPAC Name4-[5-fluoro-3,8-diphenoxy-11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazol-6-yl]-N,N-diphenylaniline
SMILESFc1c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2c3cc(Oc4ccccc4)ccc3n(-c3ccc(-c4ccccc4)cc3)c2c2c1c1cc(Oc3ccccc3)ccc1n2-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C72H48FN3O2/c73-70-67(53-35-41-56(42-36-53)74(54-23-11-3-12-24-54)55-25-13-4-14-26-55)68-63-47-61(77-59-27-15-5-16-28-59)43-45-65(63)75(57-37-31-51(32-38-57)49-19-7-1-8-20-49)71(68)72-69(70)64-48-62(78-60-29-17-6-18-30-60)44-46-66(64)76(72)58-39-33-52(34-40-58)50-21-9-2-10-22-50/h1-48H
InChIKeyLWAAQQFFUMJGCY-UHFFFAOYSA-N
XLogP20.08
TPSA31.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001006.19
LogP ≤ 520.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-methyl-5-[2-methyl-3-phenyl-1-[4-(N-phenylanilino)phenyl]indol-5-yl]-3-phenylindol-1-yl]-N,N-diphenylaniline
CID 59184241
4-N-[4-[2-methyl-5-[2-methyl-3-phenyl-1-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]indol-5-yl]-3-phenylindol-1-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59184297
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312844
4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 175169513
4-(6,9-diphenylcarbazol-3-yl)-N-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline;N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N,4-bis(4-fluorophenyl)aniline;N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-phenylaniline
CID 161184897
N,N-diphenyl-4-[18-phenyl-9-[4-[3-(9,18,22-triphenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaen-5-yl)phenyl]phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaen-5-yl]aniline
CID 163422851
4-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]aniline
CID 58161105
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419
1-N,3-N-bis[4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 59816026
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
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

Frequently Asked Questions

What is the IUPAC name of 4-[5-fluoro-3,8-diphenoxy-11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazol-6-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[5-fluoro-3,8-diphenoxy-11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazol-6-yl]-N,N-diphenylaniline (CID 90126268) is 4-[5-fluoro-3,8-diphenoxy-11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazol-6-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[5-fluoro-3,8-diphenoxy-11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazol-6-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[5-fluoro-3,8-diphenoxy-11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazol-6-yl]-N,N-diphenylaniline is Fc1c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2c3cc(Oc4ccccc4)ccc3n(-c3ccc(-c4ccccc4)cc3)c2c2c1c1cc(Oc3ccccc3)ccc1n2-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-[5-fluoro-3,8-diphenoxy-11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazol-6-yl]-N,N-diphenylaniline?
The InChIKey is LWAAQQFFUMJGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48FN3O2/c73-70-67(53-35-41-56(42-36-53)74(54-23-11-3-12-24-54)55-25-13-4-14-26-55)68-63-47-61(77-59-27-15-5-16-28-59)43-45-65(63)75(57-37-31-51(32-38-57)49-19-7-1-8-20-49)71(68)72-69(70)64-48-62(78-60-29-17-6-18-30-60)44-46-66(64)76(72)58-39-33-52(34-40-58)50-21-9-2-10-22-50/h1-48H.
What are the key properties of 4-[5-fluoro-3,8-diphenoxy-11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazol-6-yl]-N,N-diphenylaniline?
4-[5-fluoro-3,8-diphenoxy-11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazol-6-yl]-N,N-diphenylaniline has a molecular weight of 1006.19 g/mol, XLogP of 20.08, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-fluoro-3,8-diphenoxy-11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazol-6-yl]-N,N-diphenylaniline is sourced from PubChem (CID 90126268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).