4-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-N-(4-carbazol-9-ylphenyl)-N-[4-(9H-fluoren-9-yl)phenyl]aniline

C56H42N2 — CID 167120405

IUPAC4-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-N-(4-carbazol-9-ylphenyl)-N-[4-(9H-fluoren-9-yl)phenyl]aniline
SMILESC1=CC2C3C=CC=CC3C(c3ccc(N(c4ccc(C5c6ccccc6-c6ccccc65)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)C2C=C1
InChIInChI=1S/C56H42N2/c1-5-19-49-43(13-1)44-14-2-6-20-50(44)55(49)37-25-29-39(30-26-37)57(40-31-27-38(28-32-40)56-51-21-7-3-15-45(51)46-16-4-8-22-52(46)56)41-33-35-42(36-34-41)58-53-23-11-9-17-47(53)48-18-10-12-24-54(48)58/h1-36,43-44,49-50,55-56H
InChIKeyOLFPTMYYXNSRAL-UHFFFAOYSA-N
MW742.97 g/mol
LogP14.23
Rot. Bonds6

About 4-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-N-(4-carbazol-9-ylphenyl)-N-[4-(9H-fluoren-9-yl)phenyl]aniline

4-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-N-(4-carbazol-9-ylphenyl)-N-[4-(9H-fluoren-9-yl)phenyl]aniline (PubChem CID 167120405) has the molecular formula C56H42N2 and a molecular weight of 742.97 g/mol. Its IUPAC name is 4-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-N-(4-carbazol-9-ylphenyl)-N-[4-(9H-fluoren-9-yl)phenyl]aniline.

Molecular Properties

Compound Name4-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-N-(4-carbazol-9-ylphenyl)-N-[4-(9H-fluoren-9-yl)phenyl]aniline
PubChem CID167120405
Molecular FormulaC56H42N2
Molecular Weight742.97 g/mol
Exact Mass742.33
IUPAC Name4-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-N-(4-carbazol-9-ylphenyl)-N-[4-(9H-fluoren-9-yl)phenyl]aniline
SMILESC1=CC2C3C=CC=CC3C(c3ccc(N(c4ccc(C5c6ccccc6-c6ccccc65)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)C2C=C1
InChIInChI=1S/C56H42N2/c1-5-19-49-43(13-1)44-14-2-6-20-50(44)55(49)37-25-29-39(30-26-37)57(40-31-27-38(28-32-40)56-51-21-7-3-15-45(51)46-16-4-8-22-52(46)56)41-33-35-42(36-34-41)58-53-23-11-9-17-47(53)48-18-10-12-24-54(48)58/h1-36,43-44,49-50,55-56H
InChIKeyOLFPTMYYXNSRAL-UHFFFAOYSA-N
XLogP14.23
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.97
LogP ≤ 514.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(4-carbazol-9-ylphenyl)-9-phenyl-9H-fluoren-2-amine
CID 167110197
N-[4-[4-[4-(4-carbazol-9-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]naphthalen-1-amine
CID 20748218
N-[4-[4-(3-carbazol-9-yl-N-(3-carbazol-9-ylphenyl)anilino)phenyl]phenyl]-N-(3-carbazol-9-ylphenyl)-3-(9H-fluoren-9-yl)aniline
CID 88881400
9-[9-[4-[4-(2-carbazol-9-yl-9H-fluoren-9-yl)phenyl]phenyl]-9H-fluoren-2-yl]carbazole
CID 134379825
4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981
9-[3-carbazol-9-yl-5-(9H-fluoren-9-yl)phenyl]carbazole
CID 58435369
9-[4-[4-[4-(9H-fluoren-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 58939534
N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline
CID 20608008
2-phenyl-9-[4-[4-(2-phenyl-9H-fluoren-9-yl)phenyl]phenyl]carbazole
CID 58250678
N,5,9-triphenyl-N-[4-(3-phenyl-9H-fluoren-9-yl)phenyl]carbazol-3-amine
CID 169009813
5-[4-(9H-fluoren-9-yl)phenyl]-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 166002881
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 160833805

Frequently Asked Questions

What is the IUPAC name of 4-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-N-(4-carbazol-9-ylphenyl)-N-[4-(9H-fluoren-9-yl)phenyl]aniline?
The IUPAC name of 4-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-N-(4-carbazol-9-ylphenyl)-N-[4-(9H-fluoren-9-yl)phenyl]aniline (CID 167120405) is 4-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-N-(4-carbazol-9-ylphenyl)-N-[4-(9H-fluoren-9-yl)phenyl]aniline.
What is the SMILES notation for 4-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-N-(4-carbazol-9-ylphenyl)-N-[4-(9H-fluoren-9-yl)phenyl]aniline?
The canonical SMILES for 4-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-N-(4-carbazol-9-ylphenyl)-N-[4-(9H-fluoren-9-yl)phenyl]aniline is C1=CC2C3C=CC=CC3C(c3ccc(N(c4ccc(C5c6ccccc6-c6ccccc65)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)C2C=C1.
What is the InChIKey of 4-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-N-(4-carbazol-9-ylphenyl)-N-[4-(9H-fluoren-9-yl)phenyl]aniline?
The InChIKey is OLFPTMYYXNSRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42N2/c1-5-19-49-43(13-1)44-14-2-6-20-50(44)55(49)37-25-29-39(30-26-37)57(40-31-27-38(28-32-40)56-51-21-7-3-15-45(51)46-16-4-8-22-52(46)56)41-33-35-42(36-34-41)58-53-23-11-9-17-47(53)48-18-10-12-24-54(48)58/h1-36,43-44,49-50,55-56H.
What are the key properties of 4-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-N-(4-carbazol-9-ylphenyl)-N-[4-(9H-fluoren-9-yl)phenyl]aniline?
4-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-N-(4-carbazol-9-ylphenyl)-N-[4-(9H-fluoren-9-yl)phenyl]aniline has a molecular weight of 742.97 g/mol, XLogP of 14.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-N-(4-carbazol-9-ylphenyl)-N-[4-(9H-fluoren-9-yl)phenyl]aniline is sourced from PubChem (CID 167120405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).