4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]-N-methyl-N-phenylaniline

C75H52N2 — CID 59211122

IUPAC4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]-N-methyl-N-phenylaniline
SMILESCN(c1ccccc1)c1ccc(-n2c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3c3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc32)cc1
InChIInChI=1S/C75H52N2/c1-76(59-29-15-6-16-30-59)60-39-41-61(42-40-60)77-72-45-37-51(53-35-43-64-62-31-17-19-33-68(62)74(70(64)49-53,55-21-7-2-8-22-55)56-23-9-3-10-24-56)47-66(72)67-48-52(38-46-73(67)77)54-36-44-65-63-32-18-20-34-69(63)75(71(65)50-54,57-25-11-4-12-26-57)58-27-13-5-14-28-58/h2-50H,1H3
InChIKeyQMBQDKIIMVLCTH-UHFFFAOYSA-N
MW981.26 g/mol
LogP18.61
Rot. Bonds9

About 4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]-N-methyl-N-phenylaniline

4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]-N-methyl-N-phenylaniline (PubChem CID 59211122) has the molecular formula C75H52N2 and a molecular weight of 981.26 g/mol. Its IUPAC name is 4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]-N-methyl-N-phenylaniline.

Molecular Properties

Compound Name4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]-N-methyl-N-phenylaniline
PubChem CID59211122
Molecular FormulaC75H52N2
Molecular Weight981.26 g/mol
Exact Mass980.41
IUPAC Name4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]-N-methyl-N-phenylaniline
SMILESCN(c1ccccc1)c1ccc(-n2c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3c3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc32)cc1
InChIInChI=1S/C75H52N2/c1-76(59-29-15-6-16-30-59)60-39-41-61(42-40-60)77-72-45-37-51(53-35-43-64-62-31-17-19-33-68(62)74(70(64)49-53,55-21-7-2-8-22-55)56-23-9-3-10-24-56)47-66(72)67-48-52(38-46-73(67)77)54-36-44-65-63-32-18-20-34-69(63)75(71(65)50-54,57-25-11-4-12-26-57)58-27-13-5-14-28-58/h2-50H,1H3
InChIKeyQMBQDKIIMVLCTH-UHFFFAOYSA-N
XLogP18.61
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500981.26
LogP ≤ 518.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N,9-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 59211114
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
3,6-bis[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306581
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
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
4-phenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 167334212
9-[4-[4-[4-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 134354328
N-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]-N,9,9-triphenylfluoren-2-amine
CID 118282619
3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole
CID 59306967
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-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 89492077

Frequently Asked Questions

What is the IUPAC name of 4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]-N-methyl-N-phenylaniline?
The IUPAC name of 4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]-N-methyl-N-phenylaniline (CID 59211122) is 4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]-N-methyl-N-phenylaniline.
What is the SMILES notation for 4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]-N-methyl-N-phenylaniline?
The canonical SMILES for 4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]-N-methyl-N-phenylaniline is CN(c1ccccc1)c1ccc(-n2c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3c3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc32)cc1.
What is the InChIKey of 4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]-N-methyl-N-phenylaniline?
The InChIKey is QMBQDKIIMVLCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H52N2/c1-76(59-29-15-6-16-30-59)60-39-41-61(42-40-60)77-72-45-37-51(53-35-43-64-62-31-17-19-33-68(62)74(70(64)49-53,55-21-7-2-8-22-55)56-23-9-3-10-24-56)47-66(72)67-48-52(38-46-73(67)77)54-36-44-65-63-32-18-20-34-69(63)75(71(65)50-54,57-25-11-4-12-26-57)58-27-13-5-14-28-58/h2-50H,1H3.
What are the key properties of 4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]-N-methyl-N-phenylaniline?
4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]-N-methyl-N-phenylaniline has a molecular weight of 981.26 g/mol, XLogP of 18.61, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]-N-methyl-N-phenylaniline is sourced from PubChem (CID 59211122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).