4-(5-methylindolo[3,2-b]carbazol-11-yl)-N,N-bis[4-(5-methylindolo[3,2-b]carbazol-11-yl)phenyl]aniline

C75H51N7 — CID 138662214

IUPAC4-(5-methylindolo[3,2-b]carbazol-11-yl)-N,N-bis[4-(5-methylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
SMILESCn1c2ccccc2c2cc3c(cc21)c1ccccc1n3-c1ccc(N(c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5C)cc2)c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5C)cc2)cc1
InChIInChI=1S/C75H51N7/c1-76-64-22-10-4-16-52(64)58-43-73-61(40-70(58)76)55-19-7-13-25-67(55)80(73)49-34-28-46(29-35-49)79(47-30-36-50(37-31-47)81-68-26-14-8-20-56(68)62-41-71-59(44-74(62)81)53-17-5-11-23-65(53)77(71)2)48-32-38-51(39-33-48)82-69-27-15-9-21-57(69)63-42-72-60(45-75(63)82)54-18-6-12-24-66(54)78(72)3/h4-45H,1-3H3
InChIKeyTYDLLFHKANHXBC-UHFFFAOYSA-N
MW1050.28 g/mol
LogP19.38
Rot. Bonds6

About 4-(5-methylindolo[3,2-b]carbazol-11-yl)-N,N-bis[4-(5-methylindolo[3,2-b]carbazol-11-yl)phenyl]aniline

4-(5-methylindolo[3,2-b]carbazol-11-yl)-N,N-bis[4-(5-methylindolo[3,2-b]carbazol-11-yl)phenyl]aniline (PubChem CID 138662214) has the molecular formula C75H51N7 and a molecular weight of 1050.28 g/mol. Its IUPAC name is 4-(5-methylindolo[3,2-b]carbazol-11-yl)-N,N-bis[4-(5-methylindolo[3,2-b]carbazol-11-yl)phenyl]aniline.

Molecular Properties

Compound Name4-(5-methylindolo[3,2-b]carbazol-11-yl)-N,N-bis[4-(5-methylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
PubChem CID138662214
Molecular FormulaC75H51N7
Molecular Weight1050.28 g/mol
Exact Mass1049.42
IUPAC Name4-(5-methylindolo[3,2-b]carbazol-11-yl)-N,N-bis[4-(5-methylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
SMILESCn1c2ccccc2c2cc3c(cc21)c1ccccc1n3-c1ccc(N(c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5C)cc2)c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5C)cc2)cc1
InChIInChI=1S/C75H51N7/c1-76-64-22-10-4-16-52(64)58-43-73-61(40-70(58)76)55-19-7-13-25-67(55)80(73)49-34-28-46(29-35-49)79(47-30-36-50(37-31-47)81-68-26-14-8-20-56(68)62-41-71-59(44-74(62)81)53-17-5-11-23-65(53)77(71)2)48-32-38-51(39-33-48)82-69-27-15-9-21-57(69)63-42-72-60(45-75(63)82)54-18-6-12-24-66(54)78(72)3/h4-45H,1-3H3
InChIKeyTYDLLFHKANHXBC-UHFFFAOYSA-N
XLogP19.38
TPSA32.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001050.28
LogP ≤ 519.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-carbazol-9-ylphenyl)-4-(9-methylcarbazol-3-yl)-N-phenylaniline
CID 59501739
5-methyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 153276106
4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981
3-carbazol-9-yl-9-methylcarbazole;4-carbazol-9-yl-N-methyl-N-phenylaniline;9-methyl-N,N-diphenylcarbazol-3-amine
CID 160890732
6-(7-carbazol-9-yl-9-methylcarbazol-3-yl)-9-methyl-N,N-diphenylcarbazol-2-amine
CID 147602808
N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline
CID 20608008
N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585271
4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline
CID 71493884
4-(11-methylindolo[2,3-a]carbazol-12-yl)-N,N-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]aniline
CID 118944227
4-phenyl-N-[4-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121312854
N,N-bis(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-2-yl)aniline
CID 71038441
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylindolo[3,2-b]carbazol-11-yl)-N,N-bis[4-(5-methylindolo[3,2-b]carbazol-11-yl)phenyl]aniline?
The IUPAC name of 4-(5-methylindolo[3,2-b]carbazol-11-yl)-N,N-bis[4-(5-methylindolo[3,2-b]carbazol-11-yl)phenyl]aniline (CID 138662214) is 4-(5-methylindolo[3,2-b]carbazol-11-yl)-N,N-bis[4-(5-methylindolo[3,2-b]carbazol-11-yl)phenyl]aniline.
What is the SMILES notation for 4-(5-methylindolo[3,2-b]carbazol-11-yl)-N,N-bis[4-(5-methylindolo[3,2-b]carbazol-11-yl)phenyl]aniline?
The canonical SMILES for 4-(5-methylindolo[3,2-b]carbazol-11-yl)-N,N-bis[4-(5-methylindolo[3,2-b]carbazol-11-yl)phenyl]aniline is Cn1c2ccccc2c2cc3c(cc21)c1ccccc1n3-c1ccc(N(c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5C)cc2)c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5C)cc2)cc1.
What is the InChIKey of 4-(5-methylindolo[3,2-b]carbazol-11-yl)-N,N-bis[4-(5-methylindolo[3,2-b]carbazol-11-yl)phenyl]aniline?
The InChIKey is TYDLLFHKANHXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H51N7/c1-76-64-22-10-4-16-52(64)58-43-73-61(40-70(58)76)55-19-7-13-25-67(55)80(73)49-34-28-46(29-35-49)79(47-30-36-50(37-31-47)81-68-26-14-8-20-56(68)62-41-71-59(44-74(62)81)53-17-5-11-23-65(53)77(71)2)48-32-38-51(39-33-48)82-69-27-15-9-21-57(69)63-42-72-60(45-75(63)82)54-18-6-12-24-66(54)78(72)3/h4-45H,1-3H3.
What are the key properties of 4-(5-methylindolo[3,2-b]carbazol-11-yl)-N,N-bis[4-(5-methylindolo[3,2-b]carbazol-11-yl)phenyl]aniline?
4-(5-methylindolo[3,2-b]carbazol-11-yl)-N,N-bis[4-(5-methylindolo[3,2-b]carbazol-11-yl)phenyl]aniline has a molecular weight of 1050.28 g/mol, XLogP of 19.38, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylindolo[3,2-b]carbazol-11-yl)-N,N-bis[4-(5-methylindolo[3,2-b]carbazol-11-yl)phenyl]aniline is sourced from PubChem (CID 138662214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).