5-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine;bis(5-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine)

C249H163N15 — CID 161167735

IUPAC5-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine;bis(5-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine)
SMILESc1ccc2cc(N(c3cc(-c4ccc(-c5cncc(-c6cc(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)c6)c5)cc4)cc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)c3)c3ccc4ccccc4c3)ccc2c1.c1ccc2cc(N(c3cc(-c4cncc(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)c4)cc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)c3)c3ccc4ccccc4c3)ccc2c1.c1ccc2cc(N(c3cc(-c4cncc(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)c4)cc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)c3)c3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C87H57N5.2C81H53N5/c1-5-21-64-46-72(41-37-58(64)17-1)89(73-42-38-59-18-2-6-22-65(59)47-73)76-50-68(51-77(54-76)90(74-43-39-60-19-3-7-23-66(60)48-74)75-44-40-61-20-4-8-24-67(61)49-75)62-33-35-63(36-34-62)70-45-71(57-88-56-70)69-52-78(91-84-29-13-9-25-80(84)81-26-10-14-30-85(81)91)55-79(53-69)92-86-31-15-11-27-82(86)83-28-12-16-32-87(83)92;2*1-5-21-58-42-66(37-33-54(58)17-1)83(67-38-34-55-18-2-6-22-59(55)43-67)70-46-62(47-71(50-70)84(68-39-35-56-19-3-7-23-60(56)44-68)69-40-36-57-20-4-8-24-61(57)45-69)64-41-65(53-82-52-64)63-48-72(85-78-29-13-9-25-74(78)75-26-10-14-30-79(75)85)51-73(49-63)86-80-31-15-11-27-76(80)77-28-12-16-32-81(77)86/h1-57H;2*1-53H
InChIKeyUQTQZUNYPCIJKS-UHFFFAOYSA-N
MW3365.15 g/mol
LogP68.15
Rot. Bonds31

About 5-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine;bis(5-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine)

5-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine;bis(5-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine) (PubChem CID 161167735) has the molecular formula C249H163N15 and a molecular weight of 3365.15 g/mol. Its IUPAC name is 5-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine;bis(5-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine).

Molecular Properties

Compound Name5-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine;bis(5-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine)
PubChem CID161167735
Molecular FormulaC249H163N15
Molecular Weight3365.15 g/mol
Exact Mass3362.32
IUPAC Name5-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine;bis(5-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine)
SMILESc1ccc2cc(N(c3cc(-c4ccc(-c5cncc(-c6cc(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)c6)c5)cc4)cc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)c3)c3ccc4ccccc4c3)ccc2c1.c1ccc2cc(N(c3cc(-c4cncc(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)c4)cc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)c3)c3ccc4ccccc4c3)ccc2c1.c1ccc2cc(N(c3cc(-c4cncc(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)c4)cc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)c3)c3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C87H57N5.2C81H53N5/c1-5-21-64-46-72(41-37-58(64)17-1)89(73-42-38-59-18-2-6-22-65(59)47-73)76-50-68(51-77(54-76)90(74-43-39-60-19-3-7-23-66(60)48-74)75-44-40-61-20-4-8-24-67(61)49-75)62-33-35-63(36-34-62)70-45-71(57-88-56-70)69-52-78(91-84-29-13-9-25-80(84)81-26-10-14-30-85(81)91)55-79(53-69)92-86-31-15-11-27-82(86)83-28-12-16-32-87(83)92;2*1-5-21-58-42-66(37-33-54(58)17-1)83(67-38-34-55-18-2-6-22-59(55)43-67)70-46-62(47-71(50-70)84(68-39-35-56-19-3-7-23-60(56)44-68)69-40-36-57-20-4-8-24-61(57)45-69)64-41-65(53-82-52-64)63-48-72(85-78-29-13-9-25-74(78)75-26-10-14-30-79(75)85)51-73(49-63)86-80-31-15-11-27-76(80)77-28-12-16-32-81(77)86/h1-57H;2*1-53H
InChIKeyUQTQZUNYPCIJKS-UHFFFAOYSA-N
XLogP68.15
TPSA87.69 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds31
Heavy Atoms264
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003365.15
LogP ≤ 568.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 5-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine;bis(5-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine) with MolForge

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Related Compounds

9-[3-carbazol-9-yl-5-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]carbazole;5-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine
CID 160870550
N-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59372069
5-[5-[3,5-bis(dinaphthalen-2-ylamino)phenyl]-2,4,6-trimethyl-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine;5-[5-[3,5-bis(N-phenylanilino)phenyl]-2,4,6-trimethyl-3-pyridinyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;9-[3-carbazol-9-yl-5-[4-[5-[3,5-di(pyren-1-yl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-(5-pyren-1-yl-3-pyridinyl)phenyl]carbazole
CID 161105172
N-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118087581
N-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 170272033
N-[4-(3-carbazol-9-yl-5-naphthalen-2-ylphenyl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 170271819
1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 129175591
bis(1-N,3-N-dinaphthalen-2-yl-1-N,3-N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine);1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)-5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine
CID 159121295
9-[3-carbazol-9-yl-5-[2,4,6-trimethyl-5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-pyridinyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-[2,4,6-trimethyl-5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2,4,6-trimethyl-5-(10-naphthalen-1-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole;5-[4-[5-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2,4,6-trimethyl-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine;methane
CID 159169366
N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 146578844
3,5-di(carbazol-9-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 164822811
5-[3,5-di(carbazol-9-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 58827958

Frequently Asked Questions

What is the IUPAC name of 5-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine;bis(5-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine)?
The IUPAC name of 5-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine;bis(5-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine) (CID 161167735) is 5-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine;bis(5-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine).
What is the SMILES notation for 5-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine;bis(5-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine)?
The canonical SMILES for 5-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine;bis(5-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine) is c1ccc2cc(N(c3cc(-c4ccc(-c5cncc(-c6cc(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)c6)c5)cc4)cc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)c3)c3ccc4ccccc4c3)ccc2c1.c1ccc2cc(N(c3cc(-c4cncc(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)c4)cc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)c3)c3ccc4ccccc4c3)ccc2c1.c1ccc2cc(N(c3cc(-c4cncc(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)c4)cc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)c3)c3ccc4ccccc4c3)ccc2c1.
What is the InChIKey of 5-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine;bis(5-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine)?
The InChIKey is UQTQZUNYPCIJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H57N5.2C81H53N5/c1-5-21-64-46-72(41-37-58(64)17-1)89(73-42-38-59-18-2-6-22-65(59)47-73)76-50-68(51-77(54-76)90(74-43-39-60-19-3-7-23-66(60)48-74)75-44-40-61-20-4-8-24-67(61)49-75)62-33-35-63(36-34-62)70-45-71(57-88-56-70)69-52-78(91-84-29-13-9-25-80(84)81-26-10-14-30-85(81)91)55-79(53-69)92-86-31-15-11-27-82(86)83-28-12-16-32-87(83)92;2*1-5-21-58-42-66(37-33-54(58)17-1)83(67-38-34-55-18-2-6-22-59(55)43-67)70-46-62(47-71(50-70)84(68-39-35-56-19-3-7-23-60(56)44-68)69-40-36-57-20-4-8-24-61(57)45-69)64-41-65(53-82-52-64)63-48-72(85-78-29-13-9-25-74(78)75-26-10-14-30-79(75)85)51-73(49-63)86-80-31-15-11-27-76(80)77-28-12-16-32-81(77)86/h1-57H;2*1-53H.
What are the key properties of 5-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine;bis(5-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine)?
5-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine;bis(5-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine) has a molecular weight of 3365.15 g/mol, XLogP of 68.15, 31 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine;bis(5-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine) is sourced from PubChem (CID 161167735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).