N-methyl-1-[5-[7-[7-(methylaminomethyl)-7H-indeno[2,1-b]carbazol-5-yl]-9-pyrimidin-2-ylcarbazol-2-yl]-7H-indeno[2,3-b]carbazol-7-yl]methanamine

C58H43N7 — CID 157074265

IUPACN-methyl-1-[5-[7-[7-(methylaminomethyl)-7H-indeno[2,1-b]carbazol-5-yl]-9-pyrimidin-2-ylcarbazol-2-yl]-7H-indeno[2,3-b]carbazol-7-yl]methanamine
SMILESCNCC1c2ccccc2-c2cc3c4ccccc4n(-c4ccc5c6ccc(-n7c8ccccc8c8cc9c(cc87)C(CNC)c7ccccc7-9)cc6n(-c6ncccn6)c5c4)c3cc21
InChIInChI=1S/C58H43N7/c1-59-32-50-38-14-5-3-12-36(38)44-28-48-40-16-7-9-18-52(40)63(56(48)30-46(44)50)34-20-22-42-43-23-21-35(27-55(43)65(54(42)26-34)58-61-24-11-25-62-58)64-53-19-10-8-17-41(53)49-29-45-37-13-4-6-15-39(37)51(33-60-2)47(45)31-57(49)64/h3-31,50-51,59-60H,32-33H2,1-2H3
InChIKeyDLPRKZCQTSVFNS-UHFFFAOYSA-N
MW838.03 g/mol
LogP12.43
Rot. Bonds7

About N-methyl-1-[5-[7-[7-(methylaminomethyl)-7H-indeno[2,1-b]carbazol-5-yl]-9-pyrimidin-2-ylcarbazol-2-yl]-7H-indeno[2,3-b]carbazol-7-yl]methanamine

N-methyl-1-[5-[7-[7-(methylaminomethyl)-7H-indeno[2,1-b]carbazol-5-yl]-9-pyrimidin-2-ylcarbazol-2-yl]-7H-indeno[2,3-b]carbazol-7-yl]methanamine (PubChem CID 157074265) has the molecular formula C58H43N7 and a molecular weight of 838.03 g/mol. Its IUPAC name is N-methyl-1-[5-[7-[7-(methylaminomethyl)-7H-indeno[2,1-b]carbazol-5-yl]-9-pyrimidin-2-ylcarbazol-2-yl]-7H-indeno[2,3-b]carbazol-7-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[7-[7-(methylaminomethyl)-7H-indeno[2,1-b]carbazol-5-yl]-9-pyrimidin-2-ylcarbazol-2-yl]-7H-indeno[2,3-b]carbazol-7-yl]methanamine
PubChem CID157074265
Molecular FormulaC58H43N7
Molecular Weight838.03 g/mol
Exact Mass837.36
IUPAC NameN-methyl-1-[5-[7-[7-(methylaminomethyl)-7H-indeno[2,1-b]carbazol-5-yl]-9-pyrimidin-2-ylcarbazol-2-yl]-7H-indeno[2,3-b]carbazol-7-yl]methanamine
SMILESCNCC1c2ccccc2-c2cc3c4ccccc4n(-c4ccc5c6ccc(-n7c8ccccc8c8cc9c(cc87)C(CNC)c7ccccc7-9)cc6n(-c6ncccn6)c5c4)c3cc21
InChIInChI=1S/C58H43N7/c1-59-32-50-38-14-5-3-12-36(38)44-28-48-40-16-7-9-18-52(40)63(56(48)30-46(44)50)34-20-22-42-43-23-21-35(27-55(43)65(54(42)26-34)58-61-24-11-25-62-58)64-53-19-10-8-17-41(53)49-29-45-37-13-4-6-15-39(37)51(33-60-2)47(45)31-57(49)64/h3-31,50-51,59-60H,32-33H2,1-2H3
InChIKeyDLPRKZCQTSVFNS-UHFFFAOYSA-N
XLogP12.43
TPSA64.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.03
LogP ≤ 512.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-methyl-1-[5-[7-[7-(methylaminomethyl)-7H-indeno[2,1-b]carbazol-5-yl]-9-pyrimidin-2-ylcarbazol-2-yl]-7H-indeno[2,3-b]carbazol-7-yl]methanamine with MolForge

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Related Compounds

N-methyl-1-[2-[methyl-[7-[methyl-[9-(methylaminomethyl)-9H-fluoren-2-yl]boranyl]-9-pyrimidin-2-ylcarbazol-2-yl]boranyl]-9H-fluoren-9-yl]methanamine
CID 157461655
N-methyl-1-[5-[7-[7-(methylaminomethyl)-7H-fluoreno[2,3-b][1]benzoborol-5-yl]-9-pyrimidin-2-ylcarbazol-2-yl]-7H-fluoreno[2,3-b][1]benzoborol-7-yl]methanamine
CID 157074263
3-[9-(9-naphthalen-2-yl-9H-fluoren-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole
CID 167027847
ethane;5-phenyl-11-pyrimidin-2-ylindolo[3,2-b]carbazole
CID 123300627
3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole
CID 118487712
[38-(aminomethyl)-30-pyrimidin-2-yl-30-aza-26,34-diborapentadecacyclo[32.17.1.18,12.02,33.04,31.05,29.07,27.013,25.015,23.016,21.035,47.037,45.039,44.048,52.026,53]tripentaconta-1(52),2,4(31),5(29),6,8(53),9,11,13,15(23),16,18,20,24,27,32,35,37(45),39,41,43,46,48,50-tetracosaen-22-yl]methanamine
CID 159311999
3-[9-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole
CID 118487701
3-(2-pyridin-2-ylphenyl)-9-[7-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-3-yl]carbazole
CID 123136164
2-carbazol-9-yl-9-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
CID 121274428
2-carbazol-9-yl-9-phenylcarbazole
CID 118335086
3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole
CID 123285372
19,26-di(carbazol-9-yl)-8-(9H-fluoren-9-ylmethyl)-5,15-diphenyl-5,15-diazaheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-1(28),2(14),3,6(11),7,9,12,16,18,20,22,24,26-tridecaene
CID 163692079

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[7-[7-(methylaminomethyl)-7H-indeno[2,1-b]carbazol-5-yl]-9-pyrimidin-2-ylcarbazol-2-yl]-7H-indeno[2,3-b]carbazol-7-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[7-[7-(methylaminomethyl)-7H-indeno[2,1-b]carbazol-5-yl]-9-pyrimidin-2-ylcarbazol-2-yl]-7H-indeno[2,3-b]carbazol-7-yl]methanamine (CID 157074265) is N-methyl-1-[5-[7-[7-(methylaminomethyl)-7H-indeno[2,1-b]carbazol-5-yl]-9-pyrimidin-2-ylcarbazol-2-yl]-7H-indeno[2,3-b]carbazol-7-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[7-[7-(methylaminomethyl)-7H-indeno[2,1-b]carbazol-5-yl]-9-pyrimidin-2-ylcarbazol-2-yl]-7H-indeno[2,3-b]carbazol-7-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[7-[7-(methylaminomethyl)-7H-indeno[2,1-b]carbazol-5-yl]-9-pyrimidin-2-ylcarbazol-2-yl]-7H-indeno[2,3-b]carbazol-7-yl]methanamine is CNCC1c2ccccc2-c2cc3c4ccccc4n(-c4ccc5c6ccc(-n7c8ccccc8c8cc9c(cc87)C(CNC)c7ccccc7-9)cc6n(-c6ncccn6)c5c4)c3cc21.
What is the InChIKey of N-methyl-1-[5-[7-[7-(methylaminomethyl)-7H-indeno[2,1-b]carbazol-5-yl]-9-pyrimidin-2-ylcarbazol-2-yl]-7H-indeno[2,3-b]carbazol-7-yl]methanamine?
The InChIKey is DLPRKZCQTSVFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H43N7/c1-59-32-50-38-14-5-3-12-36(38)44-28-48-40-16-7-9-18-52(40)63(56(48)30-46(44)50)34-20-22-42-43-23-21-35(27-55(43)65(54(42)26-34)58-61-24-11-25-62-58)64-53-19-10-8-17-41(53)49-29-45-37-13-4-6-15-39(37)51(33-60-2)47(45)31-57(49)64/h3-31,50-51,59-60H,32-33H2,1-2H3.
What are the key properties of N-methyl-1-[5-[7-[7-(methylaminomethyl)-7H-indeno[2,1-b]carbazol-5-yl]-9-pyrimidin-2-ylcarbazol-2-yl]-7H-indeno[2,3-b]carbazol-7-yl]methanamine?
N-methyl-1-[5-[7-[7-(methylaminomethyl)-7H-indeno[2,1-b]carbazol-5-yl]-9-pyrimidin-2-ylcarbazol-2-yl]-7H-indeno[2,3-b]carbazol-7-yl]methanamine has a molecular weight of 838.03 g/mol, XLogP of 12.43, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[7-[7-(methylaminomethyl)-7H-indeno[2,1-b]carbazol-5-yl]-9-pyrimidin-2-ylcarbazol-2-yl]-7H-indeno[2,3-b]carbazol-7-yl]methanamine is sourced from PubChem (CID 157074265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).