1-N-dibenzothiophen-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine

C192H130N10S — CID 163748630

IUPAC1-N-dibenzothiophen-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2cc(-c3cc4ccccc4c4ccccc34)cc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)cc1.c1ccc(N(c2cc(-c3cc4ccccc4c4ccccc34)cc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)c2ccc3sc4ccccc4c3c2)cc1.c1ccc(N(c2cc(-c3cc4ccccc4c4ccccc34)cc(N(c3ccccc3)c3cccc4c3c3ccccc3n4-c3ccccc3)c2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C68H46N4.C62H41N3S.C62H43N3/c1-5-23-49(24-6-1)69(53-40-41-60-59-34-17-19-36-63(59)72(67(60)46-53)52-29-11-4-12-30-52)54-42-48(62-44-47-22-13-14-31-56(47)57-32-15-16-33-58(57)62)43-55(45-54)70(50-25-7-2-8-26-50)65-38-21-39-66-68(65)61-35-18-20-37-64(61)71(66)51-27-9-3-10-28-51;1-4-19-44(20-5-1)63(47-33-35-62-58(40-47)56-29-15-17-31-61(56)66-62)49-36-43(57-38-42-18-10-11-25-51(42)52-26-12-13-27-53(52)57)37-50(39-49)64(45-21-6-2-7-22-45)48-32-34-55-54-28-14-16-30-59(54)65(60(55)41-48)46-23-8-3-9-24-46;1-5-21-44(22-6-1)54-31-17-19-35-60(54)64(48-26-9-3-10-27-48)52-40-46(59-41-45-23-13-14-30-53(45)55-32-15-16-33-56(55)59)39-51(42-52)63(47-24-7-2-8-25-47)50-37-38-58-57-34-18-20-36-61(57)65(62(58)43-50)49-28-11-4-12-29-49/h1-46H;1-41H;1-43H
InChIKeyLOBNOVWZNUOALI-UHFFFAOYSA-N
MW2609.29 g/mol
LogP54.22
Rot. Bonds26

About 1-N-dibenzothiophen-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine

1-N-dibenzothiophen-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine (PubChem CID 163748630) has the molecular formula C192H130N10S and a molecular weight of 2609.29 g/mol. Its IUPAC name is 1-N-dibenzothiophen-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N-dibenzothiophen-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine
PubChem CID163748630
Molecular FormulaC192H130N10S
Molecular Weight2609.29 g/mol
Exact Mass2607.02
IUPAC Name1-N-dibenzothiophen-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2cc(-c3cc4ccccc4c4ccccc34)cc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)cc1.c1ccc(N(c2cc(-c3cc4ccccc4c4ccccc34)cc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)c2ccc3sc4ccccc4c3c2)cc1.c1ccc(N(c2cc(-c3cc4ccccc4c4ccccc34)cc(N(c3ccccc3)c3cccc4c3c3ccccc3n4-c3ccccc3)c2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C68H46N4.C62H41N3S.C62H43N3/c1-5-23-49(24-6-1)69(53-40-41-60-59-34-17-19-36-63(59)72(67(60)46-53)52-29-11-4-12-30-52)54-42-48(62-44-47-22-13-14-31-56(47)57-32-15-16-33-58(57)62)43-55(45-54)70(50-25-7-2-8-26-50)65-38-21-39-66-68(65)61-35-18-20-37-64(61)71(66)51-27-9-3-10-28-51;1-4-19-44(20-5-1)63(47-33-35-62-58(40-47)56-29-15-17-31-61(56)66-62)49-36-43(57-38-42-18-10-11-25-51(42)52-26-12-13-27-53(52)57)37-50(39-49)64(45-21-6-2-7-22-45)48-32-34-55-54-28-14-16-30-59(54)65(60(55)41-48)46-23-8-3-9-24-46;1-5-21-44(22-6-1)54-31-17-19-35-60(54)64(48-26-9-3-10-27-48)52-40-46(59-41-45-23-13-14-30-53(45)55-32-15-16-33-56(55)59)39-51(42-52)63(47-24-7-2-8-25-47)50-37-38-58-57-34-18-20-36-61(57)65(62(58)43-50)49-28-11-4-12-29-49/h1-46H;1-41H;1-43H
InChIKeyLOBNOVWZNUOALI-UHFFFAOYSA-N
XLogP54.22
TPSA39.16 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds26
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002609.29
LogP ≤ 554.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-N-dibenzothiophen-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine with MolForge

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Related Compounds

5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine
CID 162770398
1-N-(4-dibenzothiophen-4-ylphenyl)-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine
CID 162770456
1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-3-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine
CID 163654631
3-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 146663142
N-chrysen-1-yl-N-dibenzothiophen-2-yl-9-phenylcarbazol-3-amine
CID 170139043
N-[3-naphthalen-1-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine
CID 144990462
3-N-dibenzothiophen-2-yl-3-N-[3-[9-phenanthren-9-yl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 147950508
5-[4-[dibenzothiophen-3-yl-(9-phenylcarbazol-2-yl)amino]naphthalen-1-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 146588764
N-(4-carbazol-9-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 167234262
6-N-[7-(N-naphthalen-1-ylanilino)dibenzothiophen-2-yl]-2-N,2-N,9-triphenyl-6-N-(4-phenylphenyl)carbazole-2,6-diamine
CID 129194367
N-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-2-amine
CID 164790553
1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-1-N-(2-phenylphenyl)-3-N-[3-(N-(2-phenylphenyl)anilino)phenyl]benzene-1,3-diamine
CID 177275849

Frequently Asked Questions

What is the IUPAC name of 1-N-dibenzothiophen-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine?
The IUPAC name of 1-N-dibenzothiophen-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine (CID 163748630) is 1-N-dibenzothiophen-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 1-N-dibenzothiophen-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine?
The canonical SMILES for 1-N-dibenzothiophen-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine is c1ccc(-c2ccccc2N(c2ccccc2)c2cc(-c3cc4ccccc4c4ccccc34)cc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)cc1.c1ccc(N(c2cc(-c3cc4ccccc4c4ccccc34)cc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)c2ccc3sc4ccccc4c3c2)cc1.c1ccc(N(c2cc(-c3cc4ccccc4c4ccccc34)cc(N(c3ccccc3)c3cccc4c3c3ccccc3n4-c3ccccc3)c2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 1-N-dibenzothiophen-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine?
The InChIKey is LOBNOVWZNUOALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H46N4.C62H41N3S.C62H43N3/c1-5-23-49(24-6-1)69(53-40-41-60-59-34-17-19-36-63(59)72(67(60)46-53)52-29-11-4-12-30-52)54-42-48(62-44-47-22-13-14-31-56(47)57-32-15-16-33-58(57)62)43-55(45-54)70(50-25-7-2-8-26-50)65-38-21-39-66-68(65)61-35-18-20-37-64(61)71(66)51-27-9-3-10-28-51;1-4-19-44(20-5-1)63(47-33-35-62-58(40-47)56-29-15-17-31-61(56)66-62)49-36-43(57-38-42-18-10-11-25-51(42)52-26-12-13-27-53(52)57)37-50(39-49)64(45-21-6-2-7-22-45)48-32-34-55-54-28-14-16-30-59(54)65(60(55)41-48)46-23-8-3-9-24-46;1-5-21-44(22-6-1)54-31-17-19-35-60(54)64(48-26-9-3-10-27-48)52-40-46(59-41-45-23-13-14-30-53(45)55-32-15-16-33-56(55)59)39-51(42-52)63(47-24-7-2-8-25-47)50-37-38-58-57-34-18-20-36-61(57)65(62(58)43-50)49-28-11-4-12-29-49/h1-46H;1-41H;1-43H.
What are the key properties of 1-N-dibenzothiophen-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine?
1-N-dibenzothiophen-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine has a molecular weight of 2609.29 g/mol, XLogP of 54.22, 26 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-dibenzothiophen-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 163748630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).