N-[4-[3,5-bis(9-phenylcarbazol-1-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine

C79H53N3 — CID 118289063

IUPACN-[4-[3,5-bis(9-phenylcarbazol-1-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
SMILESc1ccc(N(c2ccc(-c3cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C79H53N3/c1-6-24-58(25-7-1)79(59-26-8-2-9-27-59)73-41-19-16-34-67(73)68-49-48-64(53-74(68)79)80(60-28-10-3-11-29-60)63-46-44-54(45-47-63)55-50-56(65-37-22-39-71-69-35-17-20-42-75(69)81(77(65)71)61-30-12-4-13-31-61)52-57(51-55)66-38-23-40-72-70-36-18-21-43-76(70)82(78(66)72)62-32-14-5-15-33-62/h1-53H
InChIKeyIBLRCNIBGMWDSJ-UHFFFAOYSA-N
MW1044.31 g/mol
LogP20.71
Rot. Bonds10

About N-[4-[3,5-bis(9-phenylcarbazol-1-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine

N-[4-[3,5-bis(9-phenylcarbazol-1-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine (PubChem CID 118289063) has the molecular formula C79H53N3 and a molecular weight of 1044.31 g/mol. Its IUPAC name is N-[4-[3,5-bis(9-phenylcarbazol-1-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-[3,5-bis(9-phenylcarbazol-1-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
PubChem CID118289063
Molecular FormulaC79H53N3
Molecular Weight1044.31 g/mol
Exact Mass1043.42
IUPAC NameN-[4-[3,5-bis(9-phenylcarbazol-1-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
SMILESc1ccc(N(c2ccc(-c3cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C79H53N3/c1-6-24-58(25-7-1)79(59-26-8-2-9-27-59)73-41-19-16-34-67(73)68-49-48-64(53-74(68)79)80(60-28-10-3-11-29-60)63-46-44-54(45-47-63)55-50-56(65-37-22-39-71-69-35-17-20-42-75(69)81(77(65)71)61-30-12-4-13-31-61)52-57(51-55)66-38-23-40-72-70-36-18-21-43-76(70)82(78(66)72)62-32-14-5-15-33-62/h1-53H
InChIKeyIBLRCNIBGMWDSJ-UHFFFAOYSA-N
XLogP20.71
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001044.31
LogP ≤ 520.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,9,9-triphenyl-N-[9-phenyl-9-(9-phenylcarbazol-1-yl)fluoren-2-yl]fluoren-2-amine
CID 134452955
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118505688
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;5-(3,5-diphenylphenyl)-1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 165027363
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381439
N,9,9-triphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 90393562
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 118462477
3-carbazol-9-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-(3,5-diphenylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 160587851
N,9-diphenyl-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]carbazol-2-amine
CID 170375341
N,9,9-triphenyl-N-[4-[4-(21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)phenyl]phenyl]fluoren-2-amine
CID 90175630
N-(9,9-diphenylfluoren-2-yl)-3,9-diphenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 165155547
9,9-diphenyl-N-(4-phenylphenyl)-N-[3-phenyl-5-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 118265823
N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 122593307

Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-bis(9-phenylcarbazol-1-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine?
The IUPAC name of N-[4-[3,5-bis(9-phenylcarbazol-1-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine (CID 118289063) is N-[4-[3,5-bis(9-phenylcarbazol-1-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine.
What is the SMILES notation for N-[4-[3,5-bis(9-phenylcarbazol-1-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine?
The canonical SMILES for N-[4-[3,5-bis(9-phenylcarbazol-1-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine is c1ccc(N(c2ccc(-c3cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of N-[4-[3,5-bis(9-phenylcarbazol-1-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine?
The InChIKey is IBLRCNIBGMWDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H53N3/c1-6-24-58(25-7-1)79(59-26-8-2-9-27-59)73-41-19-16-34-67(73)68-49-48-64(53-74(68)79)80(60-28-10-3-11-29-60)63-46-44-54(45-47-63)55-50-56(65-37-22-39-71-69-35-17-20-42-75(69)81(77(65)71)61-30-12-4-13-31-61)52-57(51-55)66-38-23-40-72-70-36-18-21-43-76(70)82(78(66)72)62-32-14-5-15-33-62/h1-53H.
What are the key properties of N-[4-[3,5-bis(9-phenylcarbazol-1-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine?
N-[4-[3,5-bis(9-phenylcarbazol-1-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine has a molecular weight of 1044.31 g/mol, XLogP of 20.71, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,5-bis(9-phenylcarbazol-1-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine is sourced from PubChem (CID 118289063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).