N-(6-methyldibenzofuran-4-yl)-10-phenyl-N-[4-(trifluoromethyl)phenyl]spiro[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

C59H37F3N2O — CID 138651928

IUPACN-(6-methyldibenzofuran-4-yl)-10-phenyl-N-[4-(trifluoromethyl)phenyl]spiro[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

SMILESCc1cccc2c1oc1c(N(c3ccc(C(F)(F)F)cc3)c3cc4c(c5ccccc35)-c3c(ccc5ccccc35)C43c4ccccc4N(c4ccccc4)c4ccccc43)cccc12

InChIInChI=1S/C59H37F3N2O/c1-36-15-13-22-44-45-23-14-28-52(57(45)65-56(36)44)64(40-32-30-38(31-33-40)59(60,61)62)53-35-49-55(43-21-8-7-20-42(43)53)54-41-19-6-5-16-37(41)29-34-48(54)58(49)46-24-9-11-26-50(46)63(39-17-3-2-4-18-39)51-27-12-10-25-47(51)58/h2-35H,1H3

InChIKeyBGSVEDKUMQVYHK-UHFFFAOYSA-N

MW846.95 g/mol

LogP16.84

Rot. Bonds4

About N-(6-methyldibenzofuran-4-yl)-10-phenyl-N-[4-(trifluoromethyl)phenyl]spiro[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-methyldibenzofuran-4-yl)-10-phenyl-N-[4-(trifluoromethyl)phenyl]spiro[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 138651928) has the molecular formula C59H37F3N2O and a molecular weight of 846.95 g/mol. Its IUPAC name is N-(6-methyldibenzofuran-4-yl)-10-phenyl-N-[4-(trifluoromethyl)phenyl]spiro[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-methyldibenzofuran-4-yl)-10-phenyl-N-[4-(trifluoromethyl)phenyl]spiro[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	138651928
Molecular Formula	C59H37F3N2O
Molecular Weight	846.95 g/mol
Exact Mass	846.29
IUPAC Name	N-(6-methyldibenzofuran-4-yl)-10-phenyl-N-[4-(trifluoromethyl)phenyl]spiro[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	Cc1cccc2c1oc1c(N(c3ccc(C(F)(F)F)cc3)c3cc4c(c5ccccc35)-c3c(ccc5ccccc35)C43c4ccccc4N(c4ccccc4)c4ccccc43)cccc12
InChI	InChI=1S/C59H37F3N2O/c1-36-15-13-22-44-45-23-14-28-52(57(45)65-56(36)44)64(40-32-30-38(31-33-40)59(60,61)62)53-35-49-55(43-21-8-7-20-42(43)53)54-41-19-6-5-16-37(41)29-34-48(54)58(49)46-24-9-11-26-50(46)63(39-17-3-2-4-18-39)51-27-12-10-25-47(51)58/h2-35H,1H3
InChIKey	BGSVEDKUMQVYHK-UHFFFAOYSA-N
XLogP	16.84
TPSA	19.62 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	65
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	846.95
LogP ≤ 5	16.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(6-methyldibenzofuran-4-yl)-10-phenyl-N-[4-(trifluoromethyl)phenyl]spiro[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-methyldibenzofuran-4-yl)-10-phenyl-N-[4-(trifluoromethyl)phenyl]spiro[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 138651928) is N-(6-methyldibenzofuran-4-yl)-10-phenyl-N-[4-(trifluoromethyl)phenyl]spiro[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-methyldibenzofuran-4-yl)-10-phenyl-N-[4-(trifluoromethyl)phenyl]spiro[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-methyldibenzofuran-4-yl)-10-phenyl-N-[4-(trifluoromethyl)phenyl]spiro[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 Cc1cccc2c1oc1c(N(c3ccc(C(F)(F)F)cc3)c3cc4c(c5ccccc35)-c3c(ccc5ccccc35)C43c4ccccc4N(c4ccccc4)c4ccccc43)cccc12.

What is the InChIKey of N-(6-methyldibenzofuran-4-yl)-10-phenyl-N-[4-(trifluoromethyl)phenyl]spiro[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 BGSVEDKUMQVYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37F3N2O/c1-36-15-13-22-44-45-23-14-28-52(57(45)65-56(36)44)64(40-32-30-38(31-33-40)59(60,61)62)53-35-49-55(43-21-8-7-20-42(43)53)54-41-19-6-5-16-37(41)29-34-48(54)58(49)46-24-9-11-26-50(46)63(39-17-3-2-4-18-39)51-27-12-10-25-47(51)58/h2-35H,1H3.

What are the key properties of N-(6-methyldibenzofuran-4-yl)-10-phenyl-N-[4-(trifluoromethyl)phenyl]spiro[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-methyldibenzofuran-4-yl)-10-phenyl-N-[4-(trifluoromethyl)phenyl]spiro[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 846.95 g/mol, XLogP of 16.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-methyldibenzofuran-4-yl)-10-phenyl-N-[4-(trifluoromethyl)phenyl]spiro[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 138651928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).