N-[4-(9H-fluoren-1-yl)phenyl]-4-[4-(N-[4-(9H-fluoren-1-yl)phenyl]anilino)phenyl]-N-phenylaniline

C62H44N2 — CID 157272103

IUPACN-[4-(9H-fluoren-1-yl)phenyl]-4-[4-(N-[4-(9H-fluoren-1-yl)phenyl]anilino)phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cccc6c5Cc5ccccc5-6)cc4)cc3)cc2)c2ccc(-c3cccc4c3Cc3ccccc3-4)cc2)cc1
InChIInChI=1S/C62H44N2/c1-3-15-49(16-4-1)63(53-37-29-45(30-38-53)55-21-11-23-59-57-19-9-7-13-47(57)41-61(55)59)51-33-25-43(26-34-51)44-27-35-52(36-28-44)64(50-17-5-2-6-18-50)54-39-31-46(32-40-54)56-22-12-24-60-58-20-10-8-14-48(58)42-62(56)60/h1-40H,41-42H2
InChIKeyAYQWJAPKXQUQEQ-UHFFFAOYSA-N
MW817.05 g/mol
LogP16.77
Rot. Bonds9

About N-[4-(9H-fluoren-1-yl)phenyl]-4-[4-(N-[4-(9H-fluoren-1-yl)phenyl]anilino)phenyl]-N-phenylaniline

N-[4-(9H-fluoren-1-yl)phenyl]-4-[4-(N-[4-(9H-fluoren-1-yl)phenyl]anilino)phenyl]-N-phenylaniline (PubChem CID 157272103) has the molecular formula C62H44N2 and a molecular weight of 817.05 g/mol. Its IUPAC name is N-[4-(9H-fluoren-1-yl)phenyl]-4-[4-(N-[4-(9H-fluoren-1-yl)phenyl]anilino)phenyl]-N-phenylaniline.

Molecular Properties

Compound NameN-[4-(9H-fluoren-1-yl)phenyl]-4-[4-(N-[4-(9H-fluoren-1-yl)phenyl]anilino)phenyl]-N-phenylaniline
PubChem CID157272103
Molecular FormulaC62H44N2
Molecular Weight817.05 g/mol
Exact Mass816.35
IUPAC NameN-[4-(9H-fluoren-1-yl)phenyl]-4-[4-(N-[4-(9H-fluoren-1-yl)phenyl]anilino)phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cccc6c5Cc5ccccc5-6)cc4)cc3)cc2)c2ccc(-c3cccc4c3Cc3ccccc3-4)cc2)cc1
InChIInChI=1S/C62H44N2/c1-3-15-49(16-4-1)63(53-37-29-45(30-38-53)55-21-11-23-59-57-19-9-7-13-47(57)41-61(55)59)51-33-25-43(26-34-51)44-27-35-52(36-28-44)64(50-17-5-2-6-18-50)54-39-31-46(32-40-54)56-22-12-24-60-58-20-10-8-14-48(58)42-62(56)60/h1-40H,41-42H2
InChIKeyAYQWJAPKXQUQEQ-UHFFFAOYSA-N
XLogP16.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.05
LogP ≤ 516.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(9H-fluoren-1-yl)-3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 134320795
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9H-fluoren-1-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 138548317
1-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 174460318
N-(4-dibenzofuran-4-ylphenyl)-3-(9H-fluoren-1-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146516973
4-(9H-fluoren-3-yl)-N,N-diphenylaniline
CID 157436916
ethane;N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-phenyl-9H-fluoren-1-amine
CID 159210073
7-(9H-fluoren-1-yl)-N-[7-(9H-fluoren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 145298640
N,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline;N,N-diphenyl-4-[6-(2-phenylphenyl)-9H-fluoren-3-yl]aniline;N,N-diphenyl-4-[6-(3-phenylphenyl)-9H-fluoren-3-yl]aniline;4-(9H-fluoren-3-yl)-N,N-diphenylaniline
CID 161002585
3-(9H-fluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 146386867
N-[4-(12-heptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaenyl)phenyl]-N,4-diphenylaniline
CID 142377962
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-(4-iodophenyl)-9H-fluorene
CID 154332097

Frequently Asked Questions

What is the IUPAC name of N-[4-(9H-fluoren-1-yl)phenyl]-4-[4-(N-[4-(9H-fluoren-1-yl)phenyl]anilino)phenyl]-N-phenylaniline?
The IUPAC name of N-[4-(9H-fluoren-1-yl)phenyl]-4-[4-(N-[4-(9H-fluoren-1-yl)phenyl]anilino)phenyl]-N-phenylaniline (CID 157272103) is N-[4-(9H-fluoren-1-yl)phenyl]-4-[4-(N-[4-(9H-fluoren-1-yl)phenyl]anilino)phenyl]-N-phenylaniline.
What is the SMILES notation for N-[4-(9H-fluoren-1-yl)phenyl]-4-[4-(N-[4-(9H-fluoren-1-yl)phenyl]anilino)phenyl]-N-phenylaniline?
The canonical SMILES for N-[4-(9H-fluoren-1-yl)phenyl]-4-[4-(N-[4-(9H-fluoren-1-yl)phenyl]anilino)phenyl]-N-phenylaniline is c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cccc6c5Cc5ccccc5-6)cc4)cc3)cc2)c2ccc(-c3cccc4c3Cc3ccccc3-4)cc2)cc1.
What is the InChIKey of N-[4-(9H-fluoren-1-yl)phenyl]-4-[4-(N-[4-(9H-fluoren-1-yl)phenyl]anilino)phenyl]-N-phenylaniline?
The InChIKey is AYQWJAPKXQUQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N2/c1-3-15-49(16-4-1)63(53-37-29-45(30-38-53)55-21-11-23-59-57-19-9-7-13-47(57)41-61(55)59)51-33-25-43(26-34-51)44-27-35-52(36-28-44)64(50-17-5-2-6-18-50)54-39-31-46(32-40-54)56-22-12-24-60-58-20-10-8-14-48(58)42-62(56)60/h1-40H,41-42H2.
What are the key properties of N-[4-(9H-fluoren-1-yl)phenyl]-4-[4-(N-[4-(9H-fluoren-1-yl)phenyl]anilino)phenyl]-N-phenylaniline?
N-[4-(9H-fluoren-1-yl)phenyl]-4-[4-(N-[4-(9H-fluoren-1-yl)phenyl]anilino)phenyl]-N-phenylaniline has a molecular weight of 817.05 g/mol, XLogP of 16.77, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9H-fluoren-1-yl)phenyl]-4-[4-(N-[4-(9H-fluoren-1-yl)phenyl]anilino)phenyl]-N-phenylaniline is sourced from PubChem (CID 157272103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).