5-[9-(4-tert-butylphenyl)carbazol-3-yl]-1-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-1-yl-1-N,3-N-diphenylbenzene-1,3-diamine

C65H53N3 — CID 66838025

IUPAC5-[9-(4-tert-butylphenyl)carbazol-3-yl]-1-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-1-yl-1-N,3-N-diphenylbenzene-1,3-diamine
SMILESCC(C)(C)c1ccc(-n2c3ccccc3c3cc(-c4cc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc(N(c5ccccc5)c5cccc6ccccc56)c4)ccc32)cc1
InChIInChI=1S/C65H53N3/c1-64(2,3)47-32-34-50(35-33-47)68-62-29-17-15-27-57(62)58-41-45(31-38-63(58)68)46-39-52(42-53(40-46)67(49-23-10-7-11-24-49)61-30-18-20-44-19-12-13-25-54(44)61)66(48-21-8-6-9-22-48)51-36-37-56-55-26-14-16-28-59(55)65(4,5)60(56)43-51/h6-43H,1-5H3
InChIKeyUTADNSXJGRMQMR-UHFFFAOYSA-N
MW876.16 g/mol
LogP18.15
Rot. Bonds8

About 5-[9-(4-tert-butylphenyl)carbazol-3-yl]-1-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-1-yl-1-N,3-N-diphenylbenzene-1,3-diamine

5-[9-(4-tert-butylphenyl)carbazol-3-yl]-1-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-1-yl-1-N,3-N-diphenylbenzene-1,3-diamine (PubChem CID 66838025) has the molecular formula C65H53N3 and a molecular weight of 876.16 g/mol. Its IUPAC name is 5-[9-(4-tert-butylphenyl)carbazol-3-yl]-1-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-1-yl-1-N,3-N-diphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name5-[9-(4-tert-butylphenyl)carbazol-3-yl]-1-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-1-yl-1-N,3-N-diphenylbenzene-1,3-diamine
PubChem CID66838025
Molecular FormulaC65H53N3
Molecular Weight876.16 g/mol
Exact Mass875.42
IUPAC Name5-[9-(4-tert-butylphenyl)carbazol-3-yl]-1-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-1-yl-1-N,3-N-diphenylbenzene-1,3-diamine
SMILESCC(C)(C)c1ccc(-n2c3ccccc3c3cc(-c4cc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc(N(c5ccccc5)c5cccc6ccccc56)c4)ccc32)cc1
InChIInChI=1S/C65H53N3/c1-64(2,3)47-32-34-50(35-33-47)68-62-29-17-15-27-57(62)58-41-45(31-38-63(58)68)46-39-52(42-53(40-46)67(49-23-10-7-11-24-49)61-30-18-20-44-19-12-13-25-54(44)61)66(48-21-8-6-9-22-48)51-36-37-56-55-26-14-16-28-59(55)65(4,5)60(56)43-51/h6-43H,1-5H3
InChIKeyUTADNSXJGRMQMR-UHFFFAOYSA-N
XLogP18.15
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500876.16
LogP ≤ 518.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9,9-dimethyl-N-naphthalen-1-yl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 71175461
1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 87174603
9,9-dimethyl-N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 162198244
9,9-dimethyl-N-naphthalen-1-yl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 159884848
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 90393592
1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 87174605
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159095793
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157310946
3-N-(9,9-dimethylfluoren-2-yl)-5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1-N-naphthalen-2-yl-1-N,3-N-diphenylbenzene-1,3-diamine
CID 87174589
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 138710344
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)fluoren-2-amine;3-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)aniline;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)naphthalen-2-amine
CID 161349571
1-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-1-yl-1-N,3-N-diphenyl-5-(9-pyridin-2-ylcarbazol-3-yl)benzene-1,3-diamine
CID 66838050

Frequently Asked Questions

What is the IUPAC name of 5-[9-(4-tert-butylphenyl)carbazol-3-yl]-1-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-1-yl-1-N,3-N-diphenylbenzene-1,3-diamine?
The IUPAC name of 5-[9-(4-tert-butylphenyl)carbazol-3-yl]-1-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-1-yl-1-N,3-N-diphenylbenzene-1,3-diamine (CID 66838025) is 5-[9-(4-tert-butylphenyl)carbazol-3-yl]-1-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-1-yl-1-N,3-N-diphenylbenzene-1,3-diamine.
What is the SMILES notation for 5-[9-(4-tert-butylphenyl)carbazol-3-yl]-1-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-1-yl-1-N,3-N-diphenylbenzene-1,3-diamine?
The canonical SMILES for 5-[9-(4-tert-butylphenyl)carbazol-3-yl]-1-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-1-yl-1-N,3-N-diphenylbenzene-1,3-diamine is CC(C)(C)c1ccc(-n2c3ccccc3c3cc(-c4cc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc(N(c5ccccc5)c5cccc6ccccc56)c4)ccc32)cc1.
What is the InChIKey of 5-[9-(4-tert-butylphenyl)carbazol-3-yl]-1-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-1-yl-1-N,3-N-diphenylbenzene-1,3-diamine?
The InChIKey is UTADNSXJGRMQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H53N3/c1-64(2,3)47-32-34-50(35-33-47)68-62-29-17-15-27-57(62)58-41-45(31-38-63(58)68)46-39-52(42-53(40-46)67(49-23-10-7-11-24-49)61-30-18-20-44-19-12-13-25-54(44)61)66(48-21-8-6-9-22-48)51-36-37-56-55-26-14-16-28-59(55)65(4,5)60(56)43-51/h6-43H,1-5H3.
What are the key properties of 5-[9-(4-tert-butylphenyl)carbazol-3-yl]-1-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-1-yl-1-N,3-N-diphenylbenzene-1,3-diamine?
5-[9-(4-tert-butylphenyl)carbazol-3-yl]-1-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-1-yl-1-N,3-N-diphenylbenzene-1,3-diamine has a molecular weight of 876.16 g/mol, XLogP of 18.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(4-tert-butylphenyl)carbazol-3-yl]-1-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-1-yl-1-N,3-N-diphenylbenzene-1,3-diamine is sourced from PubChem (CID 66838025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).