N-[4-[6,9-bis(4-ethenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenylfluoren-2-amine

C79H56N2O — CID 156682960

IUPACN-[4-[6,9-bis(4-ethenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenylfluoren-2-amine
SMILES[2H]c1c([2H])c([2H])c(-c2cccc(N(c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(C=C)cc6)ccc4n5-c4ccc(C=C)cc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccc(Oc5ccc(C=C)cc5)cc3)c3ccccc3-4)c2)c([2H])c1[2H]
InChIInChI=1S/C79H56N2O/c1-4-54-24-30-58(31-25-54)61-34-48-77-73(51-61)74-52-62(35-49-78(74)81(77)66-38-26-55(5-2)27-39-66)59-32-40-65(41-33-59)80(67-21-15-18-60(50-67)57-16-9-7-10-17-57)68-42-47-72-71-22-13-14-23-75(71)79(76(72)53-68,63-19-11-8-12-20-63)64-36-45-70(46-37-64)82-69-43-28-56(6-3)29-44-69/h4-53H,1-3H2/i7D,9D,10D,16D,17D
InChIKeyLVYKEHNRBORJDD-QPJMCZHRSA-N
MW1054.36 g/mol
LogP21.34
Rot. Bonds14

About N-[4-[6,9-bis(4-ethenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenylfluoren-2-amine

N-[4-[6,9-bis(4-ethenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenylfluoren-2-amine (PubChem CID 156682960) has the molecular formula C79H56N2O and a molecular weight of 1054.36 g/mol. Its IUPAC name is N-[4-[6,9-bis(4-ethenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-[6,9-bis(4-ethenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenylfluoren-2-amine
PubChem CID156682960
Molecular FormulaC79H56N2O
Molecular Weight1054.36 g/mol
Exact Mass1053.47
IUPAC NameN-[4-[6,9-bis(4-ethenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenylfluoren-2-amine
SMILES[2H]c1c([2H])c([2H])c(-c2cccc(N(c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(C=C)cc6)ccc4n5-c4ccc(C=C)cc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccc(Oc5ccc(C=C)cc5)cc3)c3ccccc3-4)c2)c([2H])c1[2H]
InChIInChI=1S/C79H56N2O/c1-4-54-24-30-58(31-25-54)61-34-48-77-73(51-61)74-52-62(35-49-78(74)81(77)66-38-26-55(5-2)27-39-66)59-32-40-65(41-33-59)80(67-21-15-18-60(50-67)57-16-9-7-10-17-57)68-42-47-72-71-22-13-14-23-75(71)79(76(72)53-68,63-19-11-8-12-20-63)64-36-45-70(46-37-64)82-69-43-28-56(6-3)29-44-69/h4-53H,1-3H2/i7D,9D,10D,16D,17D
InChIKeyLVYKEHNRBORJDD-QPJMCZHRSA-N
XLogP21.34
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001054.36
LogP ≤ 521.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-[6,9-bis(4-ethenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenylfluoren-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-tert-butylphenyl)-N-[4-[6-(4-ethenylphenoxy)-9-[4-(4-ethenylphenoxy)phenyl]carbazol-3-yl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-amine;N-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[9-[4-(4-ethenylphenoxy)phenyl]-6-(4-ethenylphenyl)carbazol-3-yl]phenyl]-9-phenylfluoren-2-amine
CID 159443364
N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 122593289
9-[4-(4-ethenylphenoxy)phenyl]-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-9-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 170541545
9-[4-(4-ethenylphenoxy)phenyl]-N-[6-[9-(4-ethenylphenyl)carbazol-3-yl]naphthalen-2-yl]-N-(4-fluorophenyl)-9-phenylfluoren-2-amine;9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-N-naphthalen-2-yl-9-phenylfluoren-2-amine;9-[4-(4-ethenylphenoxy)phenyl]-N-naphthalen-2-yl-9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159606301
N-[4-[6,9-bis(4-ethenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]-9-phenylfluoren-2-amine;N-[4-[9-[3,5-bis(4-ethenylphenyl)phenyl]carbazol-3-yl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenylfluoren-2-amine;N-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]-9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 161032585
N-(4-carbazol-9-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(3-phenylcarbazol-9-yl)phenyl]fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 162125259
9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 167214675
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 118462477
N-[4-[6-[4-(N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 59306647
N,9,9-triphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 90393562
2,3,5,6-tetradeuterio-N,N-bis(4-phenylphenyl)-4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]aniline
CID 167334215
9-phenyl-6-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine
CID 167214978

Frequently Asked Questions

What is the IUPAC name of N-[4-[6,9-bis(4-ethenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenylfluoren-2-amine?
The IUPAC name of N-[4-[6,9-bis(4-ethenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenylfluoren-2-amine (CID 156682960) is N-[4-[6,9-bis(4-ethenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenylfluoren-2-amine.
What is the SMILES notation for N-[4-[6,9-bis(4-ethenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenylfluoren-2-amine?
The canonical SMILES for N-[4-[6,9-bis(4-ethenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenylfluoren-2-amine is [2H]c1c([2H])c([2H])c(-c2cccc(N(c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(C=C)cc6)ccc4n5-c4ccc(C=C)cc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccc(Oc5ccc(C=C)cc5)cc3)c3ccccc3-4)c2)c([2H])c1[2H].
What is the InChIKey of N-[4-[6,9-bis(4-ethenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenylfluoren-2-amine?
The InChIKey is LVYKEHNRBORJDD-QPJMCZHRSA-N. The full InChI is InChI=1S/C79H56N2O/c1-4-54-24-30-58(31-25-54)61-34-48-77-73(51-61)74-52-62(35-49-78(74)81(77)66-38-26-55(5-2)27-39-66)59-32-40-65(41-33-59)80(67-21-15-18-60(50-67)57-16-9-7-10-17-57)68-42-47-72-71-22-13-14-23-75(71)79(76(72)53-68,63-19-11-8-12-20-63)64-36-45-70(46-37-64)82-69-43-28-56(6-3)29-44-69/h4-53H,1-3H2/i7D,9D,10D,16D,17D.
What are the key properties of N-[4-[6,9-bis(4-ethenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenylfluoren-2-amine?
N-[4-[6,9-bis(4-ethenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenylfluoren-2-amine has a molecular weight of 1054.36 g/mol, XLogP of 21.34, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6,9-bis(4-ethenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenylfluoren-2-amine is sourced from PubChem (CID 156682960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).