N-(6-cyclohexyldibenzofuran-4-yl)-N-(2,4-dimethylphenyl)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine

C65H50N2O — CID 137416179

IUPACN-(6-cyclohexyldibenzofuran-4-yl)-N-(2,4-dimethylphenyl)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine

SMILESCc1ccc(N(c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C32c3ccccc3N(c3ccccc3)c3ccccc32)c2cccc3c2oc2c(C4CCCCC4)cccc23)c(C)c1

InChIInChI=1S/C65H50N2O/c1-41-35-38-56(42(2)39-41)67(59-34-18-29-51-50-28-17-27-47(63(50)68-64(51)59)43-19-5-3-6-20-43)60-40-55-62(49-26-12-11-25-48(49)60)61-46-24-10-9-21-44(46)36-37-54(61)65(55)52-30-13-15-32-57(52)66(45-22-7-4-8-23-45)58-33-16-14-31-53(58)65/h4,7-18,21-40,43H,3,5-6,19-20H2,1-2H3

InChIKeyCXNVWRNEIUOQIJ-UHFFFAOYSA-N

MW875.13 g/mol

LogP18.17

Rot. Bonds5

About N-(6-cyclohexyldibenzofuran-4-yl)-N-(2,4-dimethylphenyl)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine

N-(6-cyclohexyldibenzofuran-4-yl)-N-(2,4-dimethylphenyl)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine (PubChem CID 137416179) has the molecular formula C65H50N2O and a molecular weight of 875.13 g/mol. Its IUPAC name is N-(6-cyclohexyldibenzofuran-4-yl)-N-(2,4-dimethylphenyl)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine.

Molecular Properties

Compound Name	N-(6-cyclohexyldibenzofuran-4-yl)-N-(2,4-dimethylphenyl)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine
PubChem CID	137416179
Molecular Formula	C65H50N2O
Molecular Weight	875.13 g/mol
Exact Mass	874.39
IUPAC Name	N-(6-cyclohexyldibenzofuran-4-yl)-N-(2,4-dimethylphenyl)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine
SMILES	Cc1ccc(N(c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C32c3ccccc3N(c3ccccc3)c3ccccc32)c2cccc3c2oc2c(C4CCCCC4)cccc23)c(C)c1
InChI	InChI=1S/C65H50N2O/c1-41-35-38-56(42(2)39-41)67(59-34-18-29-51-50-28-17-27-47(63(50)68-64(51)59)43-19-5-3-6-20-43)60-40-55-62(49-26-12-11-25-48(49)60)61-46-24-10-9-21-44(46)36-37-54(61)65(55)52-30-13-15-32-57(52)66(45-22-7-4-8-23-45)58-33-16-14-31-53(58)65/h4,7-18,21-40,43H,3,5-6,19-20H2,1-2H3
InChIKey	CXNVWRNEIUOQIJ-UHFFFAOYSA-N
XLogP	18.17
TPSA	19.62 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	5
Heavy Atoms	68
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	875.13
LogP ≤ 5	18.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(6-cyclohexyldibenzofuran-4-yl)-N-(2,4-dimethylphenyl)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine?

The IUPAC name of N-(6-cyclohexyldibenzofuran-4-yl)-N-(2,4-dimethylphenyl)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine (CID 137416179) is N-(6-cyclohexyldibenzofuran-4-yl)-N-(2,4-dimethylphenyl)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine.

What is the SMILES notation for N-(6-cyclohexyldibenzofuran-4-yl)-N-(2,4-dimethylphenyl)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine?

The canonical SMILES for N-(6-cyclohexyldibenzofuran-4-yl)-N-(2,4-dimethylphenyl)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine is Cc1ccc(N(c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C32c3ccccc3N(c3ccccc3)c3ccccc32)c2cccc3c2oc2c(C4CCCCC4)cccc23)c(C)c1.

What is the InChIKey of N-(6-cyclohexyldibenzofuran-4-yl)-N-(2,4-dimethylphenyl)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine?

The InChIKey is CXNVWRNEIUOQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H50N2O/c1-41-35-38-56(42(2)39-41)67(59-34-18-29-51-50-28-17-27-47(63(50)68-64(51)59)43-19-5-3-6-20-43)60-40-55-62(49-26-12-11-25-48(49)60)61-46-24-10-9-21-44(46)36-37-54(61)65(55)52-30-13-15-32-57(52)66(45-22-7-4-8-23-45)58-33-16-14-31-53(58)65/h4,7-18,21-40,43H,3,5-6,19-20H2,1-2H3.

What are the key properties of N-(6-cyclohexyldibenzofuran-4-yl)-N-(2,4-dimethylphenyl)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine?

N-(6-cyclohexyldibenzofuran-4-yl)-N-(2,4-dimethylphenyl)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine has a molecular weight of 875.13 g/mol, XLogP of 18.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-cyclohexyldibenzofuran-4-yl)-N-(2,4-dimethylphenyl)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine is sourced from PubChem (CID 137416179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).