1-N-(5,6-dihydronaphthalen-2-yl)-3-N-naphthalen-1-yl-5-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine

C68H49N3 — CID 88873467

IUPAC1-N-(5,6-dihydronaphthalen-2-yl)-3-N-naphthalen-1-yl-5-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
SMILESC1=Cc2cc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(N(c4ccc(-c5ccccc5)cc4)c4cccc5ccccc45)c3)ccc2CC1
InChIInChI=1S/C68H49N3/c1-4-17-48(18-5-1)51-31-37-58(38-32-51)69(60-41-35-50-21-10-11-23-54(50)43-60)61-44-56(55-36-42-68-65(46-55)64-28-14-15-29-67(64)71(68)57-25-8-3-9-26-57)45-62(47-61)70(66-30-16-24-53-22-12-13-27-63(53)66)59-39-33-52(34-40-59)49-19-6-2-7-20-49/h1-9,11-20,22-47H,10,21H2
InChIKeyLTCZRNJHVRWIGE-UHFFFAOYSA-N
MW908.16 g/mol
LogP18.84
Rot. Bonds10

About 1-N-(5,6-dihydronaphthalen-2-yl)-3-N-naphthalen-1-yl-5-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine

1-N-(5,6-dihydronaphthalen-2-yl)-3-N-naphthalen-1-yl-5-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine (PubChem CID 88873467) has the molecular formula C68H49N3 and a molecular weight of 908.16 g/mol. Its IUPAC name is 1-N-(5,6-dihydronaphthalen-2-yl)-3-N-naphthalen-1-yl-5-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N-(5,6-dihydronaphthalen-2-yl)-3-N-naphthalen-1-yl-5-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
PubChem CID88873467
Molecular FormulaC68H49N3
Molecular Weight908.16 g/mol
Exact Mass907.39
IUPAC Name1-N-(5,6-dihydronaphthalen-2-yl)-3-N-naphthalen-1-yl-5-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
SMILESC1=Cc2cc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(N(c4ccc(-c5ccccc5)cc4)c4cccc5ccccc45)c3)ccc2CC1
InChIInChI=1S/C68H49N3/c1-4-17-48(18-5-1)51-31-37-58(38-32-51)69(60-41-35-50-21-10-11-23-54(50)43-60)61-44-56(55-36-42-68-65(46-55)64-28-14-15-29-67(64)71(68)57-25-8-3-9-26-57)45-62(47-61)70(66-30-16-24-53-22-12-13-27-63(53)66)59-39-33-52(34-40-59)49-19-6-2-7-20-49/h1-9,11-20,22-47H,10,21H2
InChIKeyLTCZRNJHVRWIGE-UHFFFAOYSA-N
XLogP18.84
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.16
LogP ≤ 518.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 129256040
3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 162088224
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370
1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine
CID 157240940
1-N,3-N,5-N-tris[6,9-bis(4-phenylphenyl)carbazol-3-yl]-1-N,3-N-dinaphthalen-1-yl-5-N-phenylbenzene-1,3,5-triamine
CID 88673324
N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402405
N-naphthalen-1-yl-9-phenyl-6-(4-phenylphenyl)-N-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]carbazol-3-amine
CID 59132923
N-[4-[4-[4-[5,6-dihydronaphthalen-2-yl(naphthalen-1-yl)amino]phenyl]phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine
CID 131995520
9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine
CID 158694626
3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine
CID 59132913
3,6-bis(4-carbazol-9-ylphenyl)-9-naphthalen-2-ylcarbazole;N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine;4-[9-naphthalen-2-yl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline;N-[4-[9-naphthalen-2-yl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 158432139
N-[4-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;3-N-naphthalen-1-yl-1-N,1-N,3-N-triphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-phenyl-5-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline;1-N,1-N,3-N,3-N-tetraphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 163923902

Frequently Asked Questions

What is the IUPAC name of 1-N-(5,6-dihydronaphthalen-2-yl)-3-N-naphthalen-1-yl-5-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine?
The IUPAC name of 1-N-(5,6-dihydronaphthalen-2-yl)-3-N-naphthalen-1-yl-5-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine (CID 88873467) is 1-N-(5,6-dihydronaphthalen-2-yl)-3-N-naphthalen-1-yl-5-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 1-N-(5,6-dihydronaphthalen-2-yl)-3-N-naphthalen-1-yl-5-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine?
The canonical SMILES for 1-N-(5,6-dihydronaphthalen-2-yl)-3-N-naphthalen-1-yl-5-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine is C1=Cc2cc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(N(c4ccc(-c5ccccc5)cc4)c4cccc5ccccc45)c3)ccc2CC1.
What is the InChIKey of 1-N-(5,6-dihydronaphthalen-2-yl)-3-N-naphthalen-1-yl-5-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine?
The InChIKey is LTCZRNJHVRWIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H49N3/c1-4-17-48(18-5-1)51-31-37-58(38-32-51)69(60-41-35-50-21-10-11-23-54(50)43-60)61-44-56(55-36-42-68-65(46-55)64-28-14-15-29-67(64)71(68)57-25-8-3-9-26-57)45-62(47-61)70(66-30-16-24-53-22-12-13-27-63(53)66)59-39-33-52(34-40-59)49-19-6-2-7-20-49/h1-9,11-20,22-47H,10,21H2.
What are the key properties of 1-N-(5,6-dihydronaphthalen-2-yl)-3-N-naphthalen-1-yl-5-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine?
1-N-(5,6-dihydronaphthalen-2-yl)-3-N-naphthalen-1-yl-5-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine has a molecular weight of 908.16 g/mol, XLogP of 18.84, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5,6-dihydronaphthalen-2-yl)-3-N-naphthalen-1-yl-5-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 88873467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).