1-[5-([1]benzofuro[2,3-b]carbazol-7-yl)cyclohexa-2,4-dien-1-yl]-N-[(4-phenylcyclohexa-1,5-dien-1-yl)methyl]methanamine

C38H32N2O — CID 170129921

IUPAC1-[5-([1]benzofuro[2,3-b]carbazol-7-yl)cyclohexa-2,4-dien-1-yl]-N-[(4-phenylcyclohexa-1,5-dien-1-yl)methyl]methanamine
SMILESC1=CC(CNCC2=CCC(c3ccccc3)C=C2)CC(n2c3ccccc3c3cc4c(cc32)oc2ccccc24)=C1
InChIInChI=1S/C38H32N2O/c1-2-10-28(11-3-1)29-19-17-26(18-20-29)24-39-25-27-9-8-12-30(21-27)40-35-15-6-4-13-31(35)33-22-34-32-14-5-7-16-37(32)41-38(34)23-36(33)40/h1-19,22-23,27,29,39H,20-21,24-25H2
InChIKeyBULVCHZIMSCOEI-UHFFFAOYSA-N
MW532.69 g/mol
LogP9.37
Rot. Bonds6

About 1-[5-([1]benzofuro[2,3-b]carbazol-7-yl)cyclohexa-2,4-dien-1-yl]-N-[(4-phenylcyclohexa-1,5-dien-1-yl)methyl]methanamine

1-[5-([1]benzofuro[2,3-b]carbazol-7-yl)cyclohexa-2,4-dien-1-yl]-N-[(4-phenylcyclohexa-1,5-dien-1-yl)methyl]methanamine (PubChem CID 170129921) has the molecular formula C38H32N2O and a molecular weight of 532.69 g/mol. Its IUPAC name is 1-[5-([1]benzofuro[2,3-b]carbazol-7-yl)cyclohexa-2,4-dien-1-yl]-N-[(4-phenylcyclohexa-1,5-dien-1-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[5-([1]benzofuro[2,3-b]carbazol-7-yl)cyclohexa-2,4-dien-1-yl]-N-[(4-phenylcyclohexa-1,5-dien-1-yl)methyl]methanamine
PubChem CID170129921
Molecular FormulaC38H32N2O
Molecular Weight532.69 g/mol
Exact Mass532.25
IUPAC Name1-[5-([1]benzofuro[2,3-b]carbazol-7-yl)cyclohexa-2,4-dien-1-yl]-N-[(4-phenylcyclohexa-1,5-dien-1-yl)methyl]methanamine
SMILESC1=CC(CNCC2=CCC(c3ccccc3)C=C2)CC(n2c3ccccc3c3cc4c(cc32)oc2ccccc24)=C1
InChIInChI=1S/C38H32N2O/c1-2-10-28(11-3-1)29-19-17-26(18-20-29)24-39-25-27-9-8-12-30(21-27)40-35-15-6-4-13-31(35)33-22-34-32-14-5-7-16-37(32)41-38(34)23-36(33)40/h1-19,22-23,27,29,39H,20-21,24-25H2
InChIKeyBULVCHZIMSCOEI-UHFFFAOYSA-N
XLogP9.37
TPSA30.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.69
LogP ≤ 59.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-([1]benzofuro[2,3-b]carbazol-7-yl)cyclohexa-2,4-dien-1-yl]-N-[(4-phenylcyclohexa-1,5-dien-1-yl)methyl]methanamine with MolForge

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Related Compounds

5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-N-[3-[4-[4-(N-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(N-(4-phenylphenyl)anilino)phenyl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-3-N-cyclohexa-1,3-dien-1-yl-1-N,3-N-diphenylbenzene-1,3-diamine
CID 163798364
11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 102324620
2-[5-(5-fluoranthen-3-ylcyclohexa-1,3-dien-1-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 145140856
7-[4-(4-carbazol-9-ylphenyl)phenyl]-10-phenyl-[1]benzofuro[2,3-b]carbazole
CID 167192760
7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 171612092
11-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 145077596
5-(2-cyclohexa-2,4-dien-1-yldibenzofuran-4-yl)-7-phenylindolo[2,3-b]carbazole
CID 170285798
2-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163733499
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 160917779
19-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 140957360
7-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 118502665
9-(4-phenylcyclohexa-1,5-dien-1-yl)-3-(4-phenylphenyl)carbazole
CID 129022406

Frequently Asked Questions

What is the IUPAC name of 1-[5-([1]benzofuro[2,3-b]carbazol-7-yl)cyclohexa-2,4-dien-1-yl]-N-[(4-phenylcyclohexa-1,5-dien-1-yl)methyl]methanamine?
The IUPAC name of 1-[5-([1]benzofuro[2,3-b]carbazol-7-yl)cyclohexa-2,4-dien-1-yl]-N-[(4-phenylcyclohexa-1,5-dien-1-yl)methyl]methanamine (CID 170129921) is 1-[5-([1]benzofuro[2,3-b]carbazol-7-yl)cyclohexa-2,4-dien-1-yl]-N-[(4-phenylcyclohexa-1,5-dien-1-yl)methyl]methanamine.
What is the SMILES notation for 1-[5-([1]benzofuro[2,3-b]carbazol-7-yl)cyclohexa-2,4-dien-1-yl]-N-[(4-phenylcyclohexa-1,5-dien-1-yl)methyl]methanamine?
The canonical SMILES for 1-[5-([1]benzofuro[2,3-b]carbazol-7-yl)cyclohexa-2,4-dien-1-yl]-N-[(4-phenylcyclohexa-1,5-dien-1-yl)methyl]methanamine is C1=CC(CNCC2=CCC(c3ccccc3)C=C2)CC(n2c3ccccc3c3cc4c(cc32)oc2ccccc24)=C1.
What is the InChIKey of 1-[5-([1]benzofuro[2,3-b]carbazol-7-yl)cyclohexa-2,4-dien-1-yl]-N-[(4-phenylcyclohexa-1,5-dien-1-yl)methyl]methanamine?
The InChIKey is BULVCHZIMSCOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N2O/c1-2-10-28(11-3-1)29-19-17-26(18-20-29)24-39-25-27-9-8-12-30(21-27)40-35-15-6-4-13-31(35)33-22-34-32-14-5-7-16-37(32)41-38(34)23-36(33)40/h1-19,22-23,27,29,39H,20-21,24-25H2.
What are the key properties of 1-[5-([1]benzofuro[2,3-b]carbazol-7-yl)cyclohexa-2,4-dien-1-yl]-N-[(4-phenylcyclohexa-1,5-dien-1-yl)methyl]methanamine?
1-[5-([1]benzofuro[2,3-b]carbazol-7-yl)cyclohexa-2,4-dien-1-yl]-N-[(4-phenylcyclohexa-1,5-dien-1-yl)methyl]methanamine has a molecular weight of 532.69 g/mol, XLogP of 9.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-([1]benzofuro[2,3-b]carbazol-7-yl)cyclohexa-2,4-dien-1-yl]-N-[(4-phenylcyclohexa-1,5-dien-1-yl)methyl]methanamine is sourced from PubChem (CID 170129921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).