1-N,3-N-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-1-N,3-N-dinaphthalen-1-ylbenzene-1,3-diamine

C70H58N4 — CID 59816073

IUPAC1-N,3-N-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-1-N,3-N-dinaphthalen-1-ylbenzene-1,3-diamine
SMILESCC(C)(C)c1ccc2c(c1)c1cc(N(c3cccc(N(c4ccc5c(c4)c4cc(C(C)(C)C)ccc4n5-c4ccccc4)c4cccc5ccccc45)c3)c3cccc4ccccc34)ccc1n2-c1ccccc1
InChIInChI=1S/C70H58N4/c1-69(2,3)49-34-38-65-59(42-49)61-45-55(36-40-67(61)73(65)51-24-9-7-10-25-51)71(63-32-17-22-47-20-13-15-30-57(47)63)53-28-19-29-54(44-53)72(64-33-18-23-48-21-14-16-31-58(48)64)56-37-41-68-62(46-56)60-43-50(70(4,5)6)35-39-66(60)74(68)52-26-11-8-12-27-52/h7-46H,1-6H3
InChIKeyNJNYDAHFUNLWCO-UHFFFAOYSA-N
MW955.26 g/mol
LogP19.72
Rot. Bonds8

About 1-N,3-N-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-1-N,3-N-dinaphthalen-1-ylbenzene-1,3-diamine

1-N,3-N-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-1-N,3-N-dinaphthalen-1-ylbenzene-1,3-diamine (PubChem CID 59816073) has the molecular formula C70H58N4 and a molecular weight of 955.26 g/mol. Its IUPAC name is 1-N,3-N-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-1-N,3-N-dinaphthalen-1-ylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-1-N,3-N-dinaphthalen-1-ylbenzene-1,3-diamine
PubChem CID59816073
Molecular FormulaC70H58N4
Molecular Weight955.26 g/mol
Exact Mass954.47
IUPAC Name1-N,3-N-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-1-N,3-N-dinaphthalen-1-ylbenzene-1,3-diamine
SMILESCC(C)(C)c1ccc2c(c1)c1cc(N(c3cccc(N(c4ccc5c(c4)c4cc(C(C)(C)C)ccc4n5-c4ccccc4)c4cccc5ccccc45)c3)c3cccc4ccccc34)ccc1n2-c1ccccc1
InChIInChI=1S/C70H58N4/c1-69(2,3)49-34-38-65-59(42-49)61-45-55(36-40-67(61)73(65)51-24-9-7-10-25-51)71(63-32-17-22-47-20-13-15-30-57(47)63)53-28-19-29-54(44-53)72(64-33-18-23-48-21-14-16-31-58(48)64)56-37-41-68-62(46-56)60-43-50(70(4,5)6)35-39-66(60)74(68)52-26-11-8-12-27-52/h7-46H,1-6H3
InChIKeyNJNYDAHFUNLWCO-UHFFFAOYSA-N
XLogP19.72
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500955.26
LogP ≤ 519.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-N,6-N-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-3-N,6-N-dinaphthalen-1-yl-9-phenylcarbazole-3,6-diamine
CID 59132897
1-N,3-N-bis(6-tert-butyl-9-naphthalen-1-ylcarbazol-3-yl)-3-N-naphthalen-1-yl-1-N-phenylbenzene-1,3-diamine
CID 88673327
1-N,3-N,5-N-tris(6-tert-butyl-9-naphthalen-1-ylcarbazol-3-yl)-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine;1-N,3-N,5-N-tris(6-tert-butyl-9-naphthalen-1-ylcarbazol-3-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine;1-N,3-N,5-N-tris(6,9-diphenylcarbazol-3-yl)-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine;1-N,3-N,5-N-tris(6,9-diphenylcarbazol-3-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 159071607
N-naphthalen-1-yl-9-phenyl-6-(4-phenylphenyl)-N-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]carbazol-3-amine
CID 59132923
4-N-chrysen-1-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 170410319
6-tert-butyl-N-(9-naphthalen-2-ylcarbazol-3-yl)-N,9-diphenylcarbazol-3-amine;6-tert-butyl-N-naphthalen-1-yl-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine;6-tert-butyl-N-naphthalen-2-yl-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine;6-tert-butyl-9-naphthalen-1-yl-N-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine;6-tert-butyl-9-naphthalen-2-yl-N-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine;6-tert-butyl-N-phenyl-N-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazol-3-amine
CID 159911430
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
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
9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine
CID 158694626
1-N,3-N-bis[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 59816003
4-N-[6-tert-butyl-9-(4-phenylphenyl)carbazol-3-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59844233

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-1-N,3-N-dinaphthalen-1-ylbenzene-1,3-diamine?
The IUPAC name of 1-N,3-N-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-1-N,3-N-dinaphthalen-1-ylbenzene-1,3-diamine (CID 59816073) is 1-N,3-N-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-1-N,3-N-dinaphthalen-1-ylbenzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-1-N,3-N-dinaphthalen-1-ylbenzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-1-N,3-N-dinaphthalen-1-ylbenzene-1,3-diamine is CC(C)(C)c1ccc2c(c1)c1cc(N(c3cccc(N(c4ccc5c(c4)c4cc(C(C)(C)C)ccc4n5-c4ccccc4)c4cccc5ccccc45)c3)c3cccc4ccccc34)ccc1n2-c1ccccc1.
What is the InChIKey of 1-N,3-N-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-1-N,3-N-dinaphthalen-1-ylbenzene-1,3-diamine?
The InChIKey is NJNYDAHFUNLWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H58N4/c1-69(2,3)49-34-38-65-59(42-49)61-45-55(36-40-67(61)73(65)51-24-9-7-10-25-51)71(63-32-17-22-47-20-13-15-30-57(47)63)53-28-19-29-54(44-53)72(64-33-18-23-48-21-14-16-31-58(48)64)56-37-41-68-62(46-56)60-43-50(70(4,5)6)35-39-66(60)74(68)52-26-11-8-12-27-52/h7-46H,1-6H3.
What are the key properties of 1-N,3-N-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-1-N,3-N-dinaphthalen-1-ylbenzene-1,3-diamine?
1-N,3-N-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-1-N,3-N-dinaphthalen-1-ylbenzene-1,3-diamine has a molecular weight of 955.26 g/mol, XLogP of 19.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-1-N,3-N-dinaphthalen-1-ylbenzene-1,3-diamine is sourced from PubChem (CID 59816073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).