N-(9,9-dimethylfluoren-2-yl)-N,15-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-amine

C45H31NO2 — CID 171050058

IUPACN-(9,9-dimethylfluoren-2-yl)-N,15-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4oc5cc6c(cc5c34)oc3cccc(-c4ccccc4)c36)cc21
InChIInChI=1S/C45H31NO2/c1-45(2)36-19-10-9-17-32(36)33-24-23-30(25-37(33)45)46(29-15-7-4-8-16-29)38-20-12-22-40-44(38)35-27-41-34(26-42(35)48-40)43-31(18-11-21-39(43)47-41)28-13-5-3-6-14-28/h3-27H,1-2H3
InChIKeyHGZXETUMLALROK-UHFFFAOYSA-N
MW617.75 g/mol
LogP12.93
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-N,15-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-amine

N-(9,9-dimethylfluoren-2-yl)-N,15-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-amine (PubChem CID 171050058) has the molecular formula C45H31NO2 and a molecular weight of 617.75 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N,15-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N,15-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-amine
PubChem CID171050058
Molecular FormulaC45H31NO2
Molecular Weight617.75 g/mol
Exact Mass617.24
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N,15-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4oc5cc6c(cc5c34)oc3cccc(-c4ccccc4)c36)cc21
InChIInChI=1S/C45H31NO2/c1-45(2)36-19-10-9-17-32(36)33-24-23-30(25-37(33)45)46(29-15-7-4-8-16-29)38-20-12-22-40-44(38)35-27-41-34(26-42(35)48-40)43-31(18-11-21-39(43)47-41)28-13-5-3-6-14-28/h3-27H,1-2H3
InChIKeyHGZXETUMLALROK-UHFFFAOYSA-N
XLogP12.93
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.75
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(9,9-dimethylfluoren-2-yl)-N,15-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-15-phenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-amine
CID 171050118
7,7-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine
CID 134393175
N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-15-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-amine
CID 171050554
N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenyldibenzofuran-1-amine
CID 176607730
N-(9,9-dimethylfluoren-2-yl)-15-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine
CID 171050244
N-(9,9-dimethylfluoren-2-yl)-N,2-diphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-amine
CID 167129231
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-amine
CID 170353028
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-15-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine
CID 171050049
N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-7-amine
CID 134393187
N-[2-dibenzofuran-1-yl-3-(4-phenylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 167285876
N-(9,9-dimethylfluoren-2-yl)-8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-N-phenyldibenzofuran-1-amine
CID 163862815
N-(9,9-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)-3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 167285328

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N,15-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N,15-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-amine (CID 171050058) is N-(9,9-dimethylfluoren-2-yl)-N,15-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N,15-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N,15-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4oc5cc6c(cc5c34)oc3cccc(-c4ccccc4)c36)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N,15-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-amine?
The InChIKey is HGZXETUMLALROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31NO2/c1-45(2)36-19-10-9-17-32(36)33-24-23-30(25-37(33)45)46(29-15-7-4-8-16-29)38-20-12-22-40-44(38)35-27-41-34(26-42(35)48-40)43-31(18-11-21-39(43)47-41)28-13-5-3-6-14-28/h3-27H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N,15-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-amine?
N-(9,9-dimethylfluoren-2-yl)-N,15-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-amine has a molecular weight of 617.75 g/mol, XLogP of 12.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N,15-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-amine is sourced from PubChem (CID 171050058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).