5-(1-phenylindol-5-yl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetranaphthalen-1-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[1-(4-phenylphenyl)indol-5-yl]benzene-1,3-diamine

C178H127N9 — CID 159943558

IUPAC5-(1-phenylindol-5-yl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetranaphthalen-1-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[1-(4-phenylphenyl)indol-5-yl]benzene-1,3-diamine
SMILESc1ccc(-c2ccc(-n3ccc4cc(-c5cc(N(c6ccccc6)c6ccccc6)cc(N(c6ccccc6)c6ccccc6)c5)ccc43)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5c(ccn5-c5ccccc5)c4)cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c3)cc2)cc1.c1ccc(-n2ccc3cc(-c4cc(N(c5cccc6ccccc56)c5cccc6ccccc56)cc(N(c5cccc6ccccc56)c5cccc6ccccc56)c4)ccc32)cc1
InChIInChI=1S/C68H49N3.C60H41N3.C50H37N3/c1-6-16-50(17-7-1)54-26-35-62(36-27-54)70(63-37-28-55(29-38-63)51-18-8-2-9-19-51)66-47-60(58-34-43-68-59(46-58)44-45-69(68)61-24-14-5-15-25-61)48-67(49-66)71(64-39-30-56(31-40-64)52-20-10-3-11-21-52)65-41-32-57(33-42-65)53-22-12-4-13-23-53;1-2-24-49(25-3-1)61-37-36-47-38-46(34-35-56(47)61)48-39-50(62(57-30-12-20-42-16-4-8-26-52(42)57)58-31-13-21-43-17-5-9-27-53(43)58)41-51(40-48)63(59-32-14-22-44-18-6-10-28-54(44)59)60-33-15-23-45-19-7-11-29-55(45)60;1-6-16-38(17-7-1)39-26-29-43(30-27-39)51-33-32-41-34-40(28-31-50(41)51)42-35-48(52(44-18-8-2-9-19-44)45-20-10-3-11-21-45)37-49(36-42)53(46-22-12-4-13-23-46)47-24-14-5-15-25-47/h1-49H;1-41H;1-37H
InChIKeyOBEVGDJRUOQSCJ-UHFFFAOYSA-N
MW2392.04 g/mol
LogP49.66
Rot. Bonds29

About 5-(1-phenylindol-5-yl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetranaphthalen-1-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[1-(4-phenylphenyl)indol-5-yl]benzene-1,3-diamine

5-(1-phenylindol-5-yl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetranaphthalen-1-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[1-(4-phenylphenyl)indol-5-yl]benzene-1,3-diamine (PubChem CID 159943558) has the molecular formula C178H127N9 and a molecular weight of 2392.04 g/mol. Its IUPAC name is 5-(1-phenylindol-5-yl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetranaphthalen-1-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[1-(4-phenylphenyl)indol-5-yl]benzene-1,3-diamine.

Molecular Properties

Compound Name5-(1-phenylindol-5-yl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetranaphthalen-1-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[1-(4-phenylphenyl)indol-5-yl]benzene-1,3-diamine
PubChem CID159943558
Molecular FormulaC178H127N9
Molecular Weight2392.04 g/mol
Exact Mass2390.02
IUPAC Name5-(1-phenylindol-5-yl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetranaphthalen-1-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[1-(4-phenylphenyl)indol-5-yl]benzene-1,3-diamine
SMILESc1ccc(-c2ccc(-n3ccc4cc(-c5cc(N(c6ccccc6)c6ccccc6)cc(N(c6ccccc6)c6ccccc6)c5)ccc43)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5c(ccn5-c5ccccc5)c4)cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c3)cc2)cc1.c1ccc(-n2ccc3cc(-c4cc(N(c5cccc6ccccc56)c5cccc6ccccc56)cc(N(c5cccc6ccccc56)c5cccc6ccccc56)c4)ccc32)cc1
InChIInChI=1S/C68H49N3.C60H41N3.C50H37N3/c1-6-16-50(17-7-1)54-26-35-62(36-27-54)70(63-37-28-55(29-38-63)51-18-8-2-9-19-51)66-47-60(58-34-43-68-59(46-58)44-45-69(68)61-24-14-5-15-25-61)48-67(49-66)71(64-39-30-56(31-40-64)52-20-10-3-11-21-52)65-41-32-57(33-42-65)53-22-12-4-13-23-53;1-2-24-49(25-3-1)61-37-36-47-38-46(34-35-56(47)61)48-39-50(62(57-30-12-20-42-16-4-8-26-52(42)57)58-31-13-21-43-17-5-9-27-53(43)58)41-51(40-48)63(59-32-14-22-44-18-6-10-28-54(44)59)60-33-15-23-45-19-7-11-29-55(45)60;1-6-16-38(17-7-1)39-26-29-43(30-27-39)51-33-32-41-34-40(28-31-50(41)51)42-35-48(52(44-18-8-2-9-19-44)45-20-10-3-11-21-45)37-49(36-42)53(46-22-12-4-13-23-46)47-24-14-5-15-25-47/h1-49H;1-41H;1-37H
InChIKeyOBEVGDJRUOQSCJ-UHFFFAOYSA-N
XLogP49.66
TPSA34.23 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds29
Heavy Atoms187
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002392.04
LogP ≤ 549.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-(1-phenylindol-5-yl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetranaphthalen-1-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[1-(4-phenylphenyl)indol-5-yl]benzene-1,3-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylindol-5-yl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetranaphthalen-1-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[1-(4-phenylphenyl)indol-5-yl]benzene-1,3-diamine?
The IUPAC name of 5-(1-phenylindol-5-yl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetranaphthalen-1-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[1-(4-phenylphenyl)indol-5-yl]benzene-1,3-diamine (CID 159943558) is 5-(1-phenylindol-5-yl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetranaphthalen-1-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[1-(4-phenylphenyl)indol-5-yl]benzene-1,3-diamine.
What is the SMILES notation for 5-(1-phenylindol-5-yl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetranaphthalen-1-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[1-(4-phenylphenyl)indol-5-yl]benzene-1,3-diamine?
The canonical SMILES for 5-(1-phenylindol-5-yl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetranaphthalen-1-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[1-(4-phenylphenyl)indol-5-yl]benzene-1,3-diamine is c1ccc(-c2ccc(-n3ccc4cc(-c5cc(N(c6ccccc6)c6ccccc6)cc(N(c6ccccc6)c6ccccc6)c5)ccc43)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5c(ccn5-c5ccccc5)c4)cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c3)cc2)cc1.c1ccc(-n2ccc3cc(-c4cc(N(c5cccc6ccccc56)c5cccc6ccccc56)cc(N(c5cccc6ccccc56)c5cccc6ccccc56)c4)ccc32)cc1.
What is the InChIKey of 5-(1-phenylindol-5-yl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetranaphthalen-1-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[1-(4-phenylphenyl)indol-5-yl]benzene-1,3-diamine?
The InChIKey is OBEVGDJRUOQSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H49N3.C60H41N3.C50H37N3/c1-6-16-50(17-7-1)54-26-35-62(36-27-54)70(63-37-28-55(29-38-63)51-18-8-2-9-19-51)66-47-60(58-34-43-68-59(46-58)44-45-69(68)61-24-14-5-15-25-61)48-67(49-66)71(64-39-30-56(31-40-64)52-20-10-3-11-21-52)65-41-32-57(33-42-65)53-22-12-4-13-23-53;1-2-24-49(25-3-1)61-37-36-47-38-46(34-35-56(47)61)48-39-50(62(57-30-12-20-42-16-4-8-26-52(42)57)58-31-13-21-43-17-5-9-27-53(43)58)41-51(40-48)63(59-32-14-22-44-18-6-10-28-54(44)59)60-33-15-23-45-19-7-11-29-55(45)60;1-6-16-38(17-7-1)39-26-29-43(30-27-39)51-33-32-41-34-40(28-31-50(41)51)42-35-48(52(44-18-8-2-9-19-44)45-20-10-3-11-21-45)37-49(36-42)53(46-22-12-4-13-23-46)47-24-14-5-15-25-47/h1-49H;1-41H;1-37H.
What are the key properties of 5-(1-phenylindol-5-yl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetranaphthalen-1-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[1-(4-phenylphenyl)indol-5-yl]benzene-1,3-diamine?
5-(1-phenylindol-5-yl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetranaphthalen-1-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[1-(4-phenylphenyl)indol-5-yl]benzene-1,3-diamine has a molecular weight of 2392.04 g/mol, XLogP of 49.66, 29 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylindol-5-yl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetranaphthalen-1-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[1-(4-phenylphenyl)indol-5-yl]benzene-1,3-diamine is sourced from PubChem (CID 159943558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).