N,N-diphenyl-4-[5-[4-(9-phenylfluoren-9-yl)phenyl]indol-1-yl]aniline

C51H36N2 — CID 132569918

IUPACN,N-diphenyl-4-[5-[4-(9-phenylfluoren-9-yl)phenyl]indol-1-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-n3ccc4cc(-c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)ccc43)cc2)cc1
InChIInChI=1S/C51H36N2/c1-4-14-40(15-5-1)51(48-22-12-10-20-46(48)47-21-11-13-23-49(47)51)41-27-24-37(25-28-41)38-26-33-50-39(36-38)34-35-52(50)42-29-31-45(32-30-42)53(43-16-6-2-7-17-43)44-18-8-3-9-19-44/h1-36H
InChIKeyKVLTURZXZBPHJH-UHFFFAOYSA-N
MW676.86 g/mol
LogP13.13
Rot. Bonds7

About N,N-diphenyl-4-[5-[4-(9-phenylfluoren-9-yl)phenyl]indol-1-yl]aniline

N,N-diphenyl-4-[5-[4-(9-phenylfluoren-9-yl)phenyl]indol-1-yl]aniline (PubChem CID 132569918) has the molecular formula C51H36N2 and a molecular weight of 676.86 g/mol. Its IUPAC name is N,N-diphenyl-4-[5-[4-(9-phenylfluoren-9-yl)phenyl]indol-1-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[5-[4-(9-phenylfluoren-9-yl)phenyl]indol-1-yl]aniline
PubChem CID132569918
Molecular FormulaC51H36N2
Molecular Weight676.86 g/mol
Exact Mass676.29
IUPAC NameN,N-diphenyl-4-[5-[4-(9-phenylfluoren-9-yl)phenyl]indol-1-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-n3ccc4cc(-c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)ccc43)cc2)cc1
InChIInChI=1S/C51H36N2/c1-4-14-40(15-5-1)51(48-22-12-10-20-46(48)47-21-11-13-23-49(47)51)41-27-24-37(25-28-41)38-26-33-50-39(36-38)34-35-52(50)42-29-31-45(32-30-42)53(43-16-6-2-7-17-43)44-18-8-3-9-19-44/h1-36H
InChIKeyKVLTURZXZBPHJH-UHFFFAOYSA-N
XLogP13.13
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.86
LogP ≤ 513.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(9,9-diphenylfluoren-3-yl)-N,6-diphenyl-N-[4-(1-phenylindol-5-yl)phenyl]aniline
CID 166991862
4-naphthalen-2-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 59601247
N-(9,9-diphenylfluoren-2-yl)-3,9-diphenyl-N-(4-phenylphenyl)pyrrolo[3,2-b]carbazol-6-amine
CID 118489585
4-phenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 167334212
N-[4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90060969
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118155143
9-phenyl-6-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine
CID 167214978
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline
CID 59601209
1-N,3-N-diphenyl-5-(9-phenylfluoren-9-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 130266146
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
N,3-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline
CID 167214673

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[5-[4-(9-phenylfluoren-9-yl)phenyl]indol-1-yl]aniline?
The IUPAC name of N,N-diphenyl-4-[5-[4-(9-phenylfluoren-9-yl)phenyl]indol-1-yl]aniline (CID 132569918) is N,N-diphenyl-4-[5-[4-(9-phenylfluoren-9-yl)phenyl]indol-1-yl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[5-[4-(9-phenylfluoren-9-yl)phenyl]indol-1-yl]aniline?
The canonical SMILES for N,N-diphenyl-4-[5-[4-(9-phenylfluoren-9-yl)phenyl]indol-1-yl]aniline is c1ccc(N(c2ccccc2)c2ccc(-n3ccc4cc(-c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)ccc43)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[5-[4-(9-phenylfluoren-9-yl)phenyl]indol-1-yl]aniline?
The InChIKey is KVLTURZXZBPHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N2/c1-4-14-40(15-5-1)51(48-22-12-10-20-46(48)47-21-11-13-23-49(47)51)41-27-24-37(25-28-41)38-26-33-50-39(36-38)34-35-52(50)42-29-31-45(32-30-42)53(43-16-6-2-7-17-43)44-18-8-3-9-19-44/h1-36H.
What are the key properties of N,N-diphenyl-4-[5-[4-(9-phenylfluoren-9-yl)phenyl]indol-1-yl]aniline?
N,N-diphenyl-4-[5-[4-(9-phenylfluoren-9-yl)phenyl]indol-1-yl]aniline has a molecular weight of 676.86 g/mol, XLogP of 13.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[5-[4-(9-phenylfluoren-9-yl)phenyl]indol-1-yl]aniline is sourced from PubChem (CID 132569918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).