N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaenyl)-11,11-dimethyl-N-phenylfluoreno[3,2-b][1]benzofuran-9-amine

C50H37NO — CID 130290139

IUPACN-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaenyl)-11,11-dimethyl-N-phenylfluoreno[3,2-b][1]benzofuran-9-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc4c5c(ccc4c3)-c3ccc4ccccc4c3C5(C)C)ccc2-c2cc3oc4ccccc4c3cc21
InChIInChI=1S/C50H37NO/c1-49(2)43-27-34(21-25-37(43)41-29-46-42(28-44(41)49)38-16-10-11-17-45(38)52-46)51(32-13-6-5-7-14-32)33-20-24-36-31(26-33)19-23-40-39-22-18-30-12-8-9-15-35(30)47(39)50(3,4)48(36)40/h5-29H,1-4H3
InChIKeyQBPFMOAUTGOABS-UHFFFAOYSA-N
MW667.85 g/mol
LogP13.97
Rot. Bonds3

About N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaenyl)-11,11-dimethyl-N-phenylfluoreno[3,2-b][1]benzofuran-9-amine

N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaenyl)-11,11-dimethyl-N-phenylfluoreno[3,2-b][1]benzofuran-9-amine (PubChem CID 130290139) has the molecular formula C50H37NO and a molecular weight of 667.85 g/mol. Its IUPAC name is N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaenyl)-11,11-dimethyl-N-phenylfluoreno[3,2-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaenyl)-11,11-dimethyl-N-phenylfluoreno[3,2-b][1]benzofuran-9-amine
PubChem CID130290139
Molecular FormulaC50H37NO
Molecular Weight667.85 g/mol
Exact Mass667.29
IUPAC NameN-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaenyl)-11,11-dimethyl-N-phenylfluoreno[3,2-b][1]benzofuran-9-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc4c5c(ccc4c3)-c3ccc4ccccc4c3C5(C)C)ccc2-c2cc3oc4ccccc4c3cc21
InChIInChI=1S/C50H37NO/c1-49(2)43-27-34(21-25-37(43)41-29-46-42(28-44(41)49)38-16-10-11-17-45(38)52-46)51(32-13-6-5-7-14-32)33-20-24-36-31(26-33)19-23-40-39-22-18-30-12-8-9-15-35(30)47(39)50(3,4)48(36)40/h5-29H,1-4H3
InChIKeyQBPFMOAUTGOABS-UHFFFAOYSA-N
XLogP13.97
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.85
LogP ≤ 513.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaenyl)-11,11-dimethyl-N-phenylfluoreno[3,2-b][1]benzofuran-9-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-amine
CID 159623488
2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine
CID 89295879
N-phenyl-N-(10,10,11,11-tetramethyl-7-pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,15,17,19,21-decaenyl)dibenzofuran-3-amine
CID 163519597
N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-7,7-dimethyl-N-naphthalen-2-ylfluoreno[2,3-b][1]benzofuran-9-amine
CID 130290634
5-N-dibenzofuran-3-yl-16-N-(9,9-dimethylfluoren-3-yl)-8,8-dimethyl-5-N,16-N-diphenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633503
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine
CID 170779391
N-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)-N-phenyldibenzofuran-2-amine
CID 121431585
11,11-dimethyl-3-N,3-N,9-N,9-N-tetraphenylbenzo[a]fluorene-3,9-diamine;11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenylbenzo[b]fluorene-2,8-diamine
CID 160909742
8-N,22-N-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-8-N,22-N-diphenyl-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 159152626
N-dibenzofuran-2-yl-N-(4-phenylphenyl)-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-amine;N-dibenzofuran-3-yl-N-(3-phenylphenyl)-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-amine
CID 158236327
7-N',17-N'-di(dibenzofuran-3-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine
CID 137494769
1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126705

Frequently Asked Questions

What is the IUPAC name of N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaenyl)-11,11-dimethyl-N-phenylfluoreno[3,2-b][1]benzofuran-9-amine?
The IUPAC name of N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaenyl)-11,11-dimethyl-N-phenylfluoreno[3,2-b][1]benzofuran-9-amine (CID 130290139) is N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaenyl)-11,11-dimethyl-N-phenylfluoreno[3,2-b][1]benzofuran-9-amine.
What is the SMILES notation for N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaenyl)-11,11-dimethyl-N-phenylfluoreno[3,2-b][1]benzofuran-9-amine?
The canonical SMILES for N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaenyl)-11,11-dimethyl-N-phenylfluoreno[3,2-b][1]benzofuran-9-amine is CC1(C)c2cc(N(c3ccccc3)c3ccc4c5c(ccc4c3)-c3ccc4ccccc4c3C5(C)C)ccc2-c2cc3oc4ccccc4c3cc21.
What is the InChIKey of N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaenyl)-11,11-dimethyl-N-phenylfluoreno[3,2-b][1]benzofuran-9-amine?
The InChIKey is QBPFMOAUTGOABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37NO/c1-49(2)43-27-34(21-25-37(43)41-29-46-42(28-44(41)49)38-16-10-11-17-45(38)52-46)51(32-13-6-5-7-14-32)33-20-24-36-31(26-33)19-23-40-39-22-18-30-12-8-9-15-35(30)47(39)50(3,4)48(36)40/h5-29H,1-4H3.
What are the key properties of N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaenyl)-11,11-dimethyl-N-phenylfluoreno[3,2-b][1]benzofuran-9-amine?
N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaenyl)-11,11-dimethyl-N-phenylfluoreno[3,2-b][1]benzofuran-9-amine has a molecular weight of 667.85 g/mol, XLogP of 13.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaenyl)-11,11-dimethyl-N-phenylfluoreno[3,2-b][1]benzofuran-9-amine is sourced from PubChem (CID 130290139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).