9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]fluorene-2,7-diamine

C65H48N6 — CID 167376601

IUPAC9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]fluorene-2,7-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc(-c4nc5ccccn5c4-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccc(-c4nc5ccccn5c4-c4ccccc4)cc3)cc21
InChIInChI=1S/C65H48N6/c1-65(2)57-43-53(70(49-23-11-5-12-24-49)51-33-29-45(30-34-51)61-63(47-19-7-3-8-20-47)68-41-17-15-27-59(68)66-61)37-39-55(57)56-40-38-54(44-58(56)65)71(50-25-13-6-14-26-50)52-35-31-46(32-36-52)62-64(48-21-9-4-10-22-48)69-42-18-16-28-60(69)67-62/h3-44H,1-2H3
InChIKeyZZECMSXMRMIZPR-UHFFFAOYSA-N
MW913.14 g/mol
LogP16.90
Rot. Bonds10

About 9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]fluorene-2,7-diamine

9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]fluorene-2,7-diamine (PubChem CID 167376601) has the molecular formula C65H48N6 and a molecular weight of 913.14 g/mol. Its IUPAC name is 9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]fluorene-2,7-diamine.

Molecular Properties

Compound Name9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]fluorene-2,7-diamine
PubChem CID167376601
Molecular FormulaC65H48N6
Molecular Weight913.14 g/mol
Exact Mass912.39
IUPAC Name9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]fluorene-2,7-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc(-c4nc5ccccn5c4-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccc(-c4nc5ccccn5c4-c4ccccc4)cc3)cc21
InChIInChI=1S/C65H48N6/c1-65(2)57-43-53(70(49-23-11-5-12-24-49)51-33-29-45(30-34-51)61-63(47-19-7-3-8-20-47)68-41-17-15-27-59(68)66-61)37-39-55(57)56-40-38-54(44-58(56)65)71(50-25-13-6-14-26-50)52-35-31-46(32-36-52)62-64(48-21-9-4-10-22-48)69-42-18-16-28-60(69)67-62/h3-44H,1-2H3
InChIKeyZZECMSXMRMIZPR-UHFFFAOYSA-N
XLogP16.90
TPSA41.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.14
LogP ≤ 516.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-N-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]aniline
CID 167376610
2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 23561352
6-methyl-N-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]pyridin-2-amine
CID 167376713
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-phenylquinolin-2-yl)phenyl]fluoren-2-amine
CID 170652875
2,3,4,5,6-pentadeuterio-N-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 167376681
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445
N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 118500262
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 118428411
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-2-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 137389722
9,9-dimethyl-7-naphthalen-1-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118500254
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]fluorene-2,7-diamine?
The IUPAC name of 9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]fluorene-2,7-diamine (CID 167376601) is 9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]fluorene-2,7-diamine.
What is the SMILES notation for 9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]fluorene-2,7-diamine?
The canonical SMILES for 9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]fluorene-2,7-diamine is CC1(C)c2cc(N(c3ccccc3)c3ccc(-c4nc5ccccn5c4-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccc(-c4nc5ccccn5c4-c4ccccc4)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]fluorene-2,7-diamine?
The InChIKey is ZZECMSXMRMIZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H48N6/c1-65(2)57-43-53(70(49-23-11-5-12-24-49)51-33-29-45(30-34-51)61-63(47-19-7-3-8-20-47)68-41-17-15-27-59(68)66-61)37-39-55(57)56-40-38-54(44-58(56)65)71(50-25-13-6-14-26-50)52-35-31-46(32-36-52)62-64(48-21-9-4-10-22-48)69-42-18-16-28-60(69)67-62/h3-44H,1-2H3.
What are the key properties of 9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]fluorene-2,7-diamine?
9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]fluorene-2,7-diamine has a molecular weight of 913.14 g/mol, XLogP of 16.90, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]fluorene-2,7-diamine is sourced from PubChem (CID 167376601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).