N-[4-[9-(9,9-dimethylfluoren-2-yl)-6-[4-(N-naphthalen-1-ylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine

C71H51N3 — CID 137467185

IUPACN-[4-[9-(9,9-dimethylfluoren-2-yl)-6-[4-(N-naphthalen-1-ylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)cc4c4cc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)ccc43)cc21
InChIInChI=1S/C71H51N3/c1-71(2)65-28-14-13-27-61(65)62-42-41-58(47-66(62)71)74-69-43-35-52(48-31-37-56(38-32-48)72(54-21-5-3-6-22-54)67-29-15-19-50-17-9-11-25-59(50)67)45-63(69)64-46-53(36-44-70(64)74)49-33-39-57(40-34-49)73(55-23-7-4-8-24-55)68-30-16-20-51-18-10-12-26-60(51)68/h3-47H,1-2H3
InChIKeyPBWDRAIKZNLWFI-UHFFFAOYSA-N
MW946.21 g/mol
LogP19.67
Rot. Bonds9

About N-[4-[9-(9,9-dimethylfluoren-2-yl)-6-[4-(N-naphthalen-1-ylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine

N-[4-[9-(9,9-dimethylfluoren-2-yl)-6-[4-(N-naphthalen-1-ylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 137467185) has the molecular formula C71H51N3 and a molecular weight of 946.21 g/mol. Its IUPAC name is N-[4-[9-(9,9-dimethylfluoren-2-yl)-6-[4-(N-naphthalen-1-ylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[9-(9,9-dimethylfluoren-2-yl)-6-[4-(N-naphthalen-1-ylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
PubChem CID137467185
Molecular FormulaC71H51N3
Molecular Weight946.21 g/mol
Exact Mass945.41
IUPAC NameN-[4-[9-(9,9-dimethylfluoren-2-yl)-6-[4-(N-naphthalen-1-ylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)cc4c4cc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)ccc43)cc21
InChIInChI=1S/C71H51N3/c1-71(2)65-28-14-13-27-61(65)62-42-41-58(47-66(62)71)74-69-43-35-52(48-31-37-56(38-32-48)72(54-21-5-3-6-22-54)67-29-15-19-50-17-9-11-25-59(50)67)45-63(69)64-46-53(36-44-70(64)74)49-33-39-57(40-34-49)73(55-23-7-4-8-24-55)68-30-16-20-51-18-10-12-26-60(51)68/h3-47H,1-2H3
InChIKeyPBWDRAIKZNLWFI-UHFFFAOYSA-N
XLogP19.67
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500946.21
LogP ≤ 519.67
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
N-[4-[6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine;6-[4-(N-naphthalen-1-ylanilino)phenyl]-N,N-bis(4-phenylphenyl)-9-triphenylen-2-ylcarbazol-3-amine;6-[4-(N-naphthalen-1-ylanilino)phenyl]-N,N-diphenyl-9-triphenylen-2-ylcarbazol-3-amine;6-[4-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)-9-triphenylen-2-ylcarbazol-3-amine
CID 169430347
7-carbazol-9-yl-9,9-dimethyl-N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 71038303
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
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]naphthalen-1-amine
CID 118198554
9,9-dimethyl-N-[4-[6-(6-methyl-9-phenylcarbazol-3-yl)naphthalen-2-yl]phenyl]-N-naphthalen-1-ylfluoren-2-amine;N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 160882230
N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N,N-bis(4-carbazol-9-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;7-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 162097788
N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-N-phenylphenanthren-9-amine
CID 129174075
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-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
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
9,9-dimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 156513111

Frequently Asked Questions

What is the IUPAC name of N-[4-[9-(9,9-dimethylfluoren-2-yl)-6-[4-(N-naphthalen-1-ylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[4-[9-(9,9-dimethylfluoren-2-yl)-6-[4-(N-naphthalen-1-ylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine (CID 137467185) is N-[4-[9-(9,9-dimethylfluoren-2-yl)-6-[4-(N-naphthalen-1-ylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[4-[9-(9,9-dimethylfluoren-2-yl)-6-[4-(N-naphthalen-1-ylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[4-[9-(9,9-dimethylfluoren-2-yl)-6-[4-(N-naphthalen-1-ylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine is CC1(C)c2ccccc2-c2ccc(-n3c4ccc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)cc4c4cc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)ccc43)cc21.
What is the InChIKey of N-[4-[9-(9,9-dimethylfluoren-2-yl)-6-[4-(N-naphthalen-1-ylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is PBWDRAIKZNLWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H51N3/c1-71(2)65-28-14-13-27-61(65)62-42-41-58(47-66(62)71)74-69-43-35-52(48-31-37-56(38-32-48)72(54-21-5-3-6-22-54)67-29-15-19-50-17-9-11-25-59(50)67)45-63(69)64-46-53(36-44-70(64)74)49-33-39-57(40-34-49)73(55-23-7-4-8-24-55)68-30-16-20-51-18-10-12-26-60(51)68/h3-47H,1-2H3.
What are the key properties of N-[4-[9-(9,9-dimethylfluoren-2-yl)-6-[4-(N-naphthalen-1-ylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine?
N-[4-[9-(9,9-dimethylfluoren-2-yl)-6-[4-(N-naphthalen-1-ylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 946.21 g/mol, XLogP of 19.67, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-(9,9-dimethylfluoren-2-yl)-6-[4-(N-naphthalen-1-ylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 137467185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).