4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-6-phenyl-4a,9a-dihydrocarbazol-9-yl]-N,N-diphenylaniline

C69H48N6 — CID 88867268

IUPAC4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-6-phenyl-4a,9a-dihydrocarbazol-9-yl]-N,N-diphenylaniline
SMILESC1=CC2C(C=C1c1ccc3c(c1)c1cc(-c4ccccc4)ccc1n3-c1nc(-c3ccccc3)nc(-c3ccccc3)n1)c1cc(-c3ccccc3)ccc1N2c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C69H48N6/c1-7-19-47(20-8-1)51-31-39-63-59(43-51)60-45-53(33-40-64(60)74(63)58-37-35-57(36-38-58)73(55-27-15-5-16-28-55)56-29-17-6-18-30-56)54-34-42-66-62(46-54)61-44-52(48-21-9-2-10-22-48)32-41-65(61)75(66)69-71-67(49-23-11-3-12-24-49)70-68(72-69)50-25-13-4-14-26-50/h1-46,60,64H
InChIKeyLQHYJGKSAGLJRW-UHFFFAOYSA-N
MW961.19 g/mol
LogP17.36
Rot. Bonds10

About 4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-6-phenyl-4a,9a-dihydrocarbazol-9-yl]-N,N-diphenylaniline

4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-6-phenyl-4a,9a-dihydrocarbazol-9-yl]-N,N-diphenylaniline (PubChem CID 88867268) has the molecular formula C69H48N6 and a molecular weight of 961.19 g/mol. Its IUPAC name is 4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-6-phenyl-4a,9a-dihydrocarbazol-9-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-6-phenyl-4a,9a-dihydrocarbazol-9-yl]-N,N-diphenylaniline
PubChem CID88867268
Molecular FormulaC69H48N6
Molecular Weight961.19 g/mol
Exact Mass960.39
IUPAC Name4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-6-phenyl-4a,9a-dihydrocarbazol-9-yl]-N,N-diphenylaniline
SMILESC1=CC2C(C=C1c1ccc3c(c1)c1cc(-c4ccccc4)ccc1n3-c1nc(-c3ccccc3)nc(-c3ccccc3)n1)c1cc(-c3ccccc3)ccc1N2c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C69H48N6/c1-7-19-47(20-8-1)51-31-39-63-59(43-51)60-45-53(33-40-64(60)74(63)58-37-35-57(36-38-58)73(55-27-15-5-16-28-55)56-29-17-6-18-30-56)54-34-42-66-62(46-54)61-44-52(48-21-9-2-10-22-48)32-41-65(61)75(66)69-71-67(49-23-11-3-12-24-49)70-68(72-69)50-25-13-4-14-26-50/h1-46,60,64H
InChIKeyLQHYJGKSAGLJRW-UHFFFAOYSA-N
XLogP17.36
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500961.19
LogP ≤ 517.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-6-phenyl-4a,9a-dihydrocarbazol-9-yl]-N,N-diphenylaniline with MolForge

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Related Compounds

5-N-(6,9-diphenyl-4b,8a-dihydrocarbazol-3-yl)-1-N,3-N-bis(6,9-diphenylcarbazol-3-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 89235026
1-N,3-N,5-N-triphenyl-5-N-[9-phenyl-6-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-1-N,3-N-bis[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine
CID 89234982
4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]-N,N-diphenylaniline
CID 88866654
5-N-[4-(3,6-dinaphthalen-1-yl-4a,9a-dihydrocarbazol-9-yl)phenyl]-1-N,3-N-bis[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 89235086
9-phenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole
CID 121475725
1-N,3-N-dinaphthalen-1-yl-3-N-[9-phenyl-6-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-1-N-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 89030421
3-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4a,9a-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole
CID 139456140
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenyl-4a,9a-dihydrocarbazole
CID 138666201
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-9-phenyl-4a,9a-dihydrocarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-9-phenyl-4a,9a-dihydrocarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 157423002
N,N,9-triphenyl-6-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-2-amine
CID 170278089
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-N,N-diphenylaniline
CID 163848012
14-[6-[6-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-phenylcarbazol-3-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 89285749

Frequently Asked Questions

What is the IUPAC name of 4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-6-phenyl-4a,9a-dihydrocarbazol-9-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-6-phenyl-4a,9a-dihydrocarbazol-9-yl]-N,N-diphenylaniline (CID 88867268) is 4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-6-phenyl-4a,9a-dihydrocarbazol-9-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-6-phenyl-4a,9a-dihydrocarbazol-9-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-6-phenyl-4a,9a-dihydrocarbazol-9-yl]-N,N-diphenylaniline is C1=CC2C(C=C1c1ccc3c(c1)c1cc(-c4ccccc4)ccc1n3-c1nc(-c3ccccc3)nc(-c3ccccc3)n1)c1cc(-c3ccccc3)ccc1N2c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-6-phenyl-4a,9a-dihydrocarbazol-9-yl]-N,N-diphenylaniline?
The InChIKey is LQHYJGKSAGLJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H48N6/c1-7-19-47(20-8-1)51-31-39-63-59(43-51)60-45-53(33-40-64(60)74(63)58-37-35-57(36-38-58)73(55-27-15-5-16-28-55)56-29-17-6-18-30-56)54-34-42-66-62(46-54)61-44-52(48-21-9-2-10-22-48)32-41-65(61)75(66)69-71-67(49-23-11-3-12-24-49)70-68(72-69)50-25-13-4-14-26-50/h1-46,60,64H.
What are the key properties of 4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-6-phenyl-4a,9a-dihydrocarbazol-9-yl]-N,N-diphenylaniline?
4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-6-phenyl-4a,9a-dihydrocarbazol-9-yl]-N,N-diphenylaniline has a molecular weight of 961.19 g/mol, XLogP of 17.36, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-6-phenyl-4a,9a-dihydrocarbazol-9-yl]-N,N-diphenylaniline is sourced from PubChem (CID 88867268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).