N,N-diphenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)-9-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-amine

C67H49N3 — CID 167214690

IUPACN,N-diphenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)-9-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-amine
SMILESC1=CC2=C(CC1)c1ccccc1C2(c1ccccc1)c1ccc2c(c1)c1cc(N(c3ccccc3)c3ccccc3)ccc1n2-c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C67H49N3/c1-6-20-48(21-7-1)49-34-37-55(38-35-49)68(52-24-10-3-11-25-52)56-39-41-57(42-40-56)70-65-44-36-51(67(50-22-8-2-9-23-50)63-32-18-16-30-59(63)60-31-17-19-33-64(60)67)46-61(65)62-47-58(43-45-66(62)70)69(53-26-12-4-13-27-53)54-28-14-5-15-29-54/h1-16,18-30,32-47H,17,31H2
InChIKeyFFTMPRMCKVWBPZ-UHFFFAOYSA-N
MW896.15 g/mol
LogP17.84
Rot. Bonds10

About N,N-diphenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)-9-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-amine

N,N-diphenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)-9-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-amine (PubChem CID 167214690) has the molecular formula C67H49N3 and a molecular weight of 896.15 g/mol. Its IUPAC name is N,N-diphenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)-9-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-amine.

Molecular Properties

Compound NameN,N-diphenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)-9-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-amine
PubChem CID167214690
Molecular FormulaC67H49N3
Molecular Weight896.15 g/mol
Exact Mass895.39
IUPAC NameN,N-diphenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)-9-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-amine
SMILESC1=CC2=C(CC1)c1ccccc1C2(c1ccccc1)c1ccc2c(c1)c1cc(N(c3ccccc3)c3ccccc3)ccc1n2-c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C67H49N3/c1-6-20-48(21-7-1)49-34-37-55(38-35-49)68(52-24-10-3-11-25-52)56-39-41-57(42-40-56)70-65-44-36-51(67(50-22-8-2-9-23-50)63-32-18-16-30-59(63)60-31-17-19-33-64(60)67)46-61(65)62-47-58(43-45-66(62)70)69(53-26-12-4-13-27-53)54-28-14-5-15-29-54/h1-16,18-30,32-47H,17,31H2
InChIKeyFFTMPRMCKVWBPZ-UHFFFAOYSA-N
XLogP17.84
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.15
LogP ≤ 517.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 167214987
9-phenyl-6-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine
CID 167214978
9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 167214675
4-phenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 167334212
N,3-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline
CID 167214673
9-phenyl-7-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)carbazol-3-amine
CID 167334078
9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 129264403
N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 122593307
N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 143240280
2,3,5,6-tetradeuterio-N,N-bis(4-phenylphenyl)-4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]aniline
CID 167334215
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
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

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)-9-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-amine?
The IUPAC name of N,N-diphenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)-9-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-amine (CID 167214690) is N,N-diphenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)-9-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-amine.
What is the SMILES notation for N,N-diphenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)-9-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-amine?
The canonical SMILES for N,N-diphenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)-9-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-amine is C1=CC2=C(CC1)c1ccccc1C2(c1ccccc1)c1ccc2c(c1)c1cc(N(c3ccccc3)c3ccccc3)ccc1n2-c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N,N-diphenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)-9-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-amine?
The InChIKey is FFTMPRMCKVWBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H49N3/c1-6-20-48(21-7-1)49-34-37-55(38-35-49)68(52-24-10-3-11-25-52)56-39-41-57(42-40-56)70-65-44-36-51(67(50-22-8-2-9-23-50)63-32-18-16-30-59(63)60-31-17-19-33-64(60)67)46-61(65)62-47-58(43-45-66(62)70)69(53-26-12-4-13-27-53)54-28-14-5-15-29-54/h1-16,18-30,32-47H,17,31H2.
What are the key properties of N,N-diphenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)-9-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-amine?
N,N-diphenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)-9-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-amine has a molecular weight of 896.15 g/mol, XLogP of 17.84, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)-9-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-amine is sourced from PubChem (CID 167214690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).