N-(9,9-diphenylfluoren-2-yl)-12-naphthalen-2-yl-N-(2-phenylphenyl)-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

C65H41NO2 — CID 157452132

IUPACN-(9,9-diphenylfluoren-2-yl)-12-naphthalen-2-yl-N-(2-phenylphenyl)-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
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2cccc3c2oc2c(-c4ccc5ccccc5c4)c4c(cc23)oc2ccccc24)cc1
InChIInChI=1S/C65H41NO2/c1-4-20-43(21-5-1)49-27-13-16-32-57(49)66(48-37-38-51-50-28-12-15-31-55(50)65(56(51)40-48,46-23-6-2-7-24-46)47-25-8-3-9-26-47)58-33-18-30-52-54-41-60-62(53-29-14-17-34-59(53)67-60)61(64(54)68-63(52)58)45-36-35-42-19-10-11-22-44(42)39-45/h1-41H
InChIKeyBSXQONMKASQLRM-UHFFFAOYSA-N
MW868.05 g/mol
LogP17.81
Rot. Bonds7

About N-(9,9-diphenylfluoren-2-yl)-12-naphthalen-2-yl-N-(2-phenylphenyl)-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

N-(9,9-diphenylfluoren-2-yl)-12-naphthalen-2-yl-N-(2-phenylphenyl)-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 (PubChem CID 157452132) has the molecular formula C65H41NO2 and a molecular weight of 868.05 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-12-naphthalen-2-yl-N-(2-phenylphenyl)-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.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-12-naphthalen-2-yl-N-(2-phenylphenyl)-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
PubChem CID157452132
Molecular FormulaC65H41NO2
Molecular Weight868.05 g/mol
Exact Mass867.31
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-12-naphthalen-2-yl-N-(2-phenylphenyl)-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
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2cccc3c2oc2c(-c4ccc5ccccc5c4)c4c(cc23)oc2ccccc24)cc1
InChIInChI=1S/C65H41NO2/c1-4-20-43(21-5-1)49-27-13-16-32-57(49)66(48-37-38-51-50-28-12-15-31-55(50)65(56(51)40-48,46-23-6-2-7-24-46)47-25-8-3-9-26-47)58-33-18-30-52-54-41-60-62(53-29-14-17-34-59(53)67-60)61(64(54)68-63(52)58)45-36-35-42-19-10-11-22-44(42)39-45/h1-41H
InChIKeyBSXQONMKASQLRM-UHFFFAOYSA-N
XLogP17.81
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.05
LogP ≤ 517.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(9,9-diphenylfluoren-2-yl)-12-naphthalen-2-yl-N-(2-phenylphenyl)-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 with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-N-(3-phenylphenyl)-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 158326158
N-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-N-(2-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine
CID 161066288
N-(2-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 167324852
N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine
CID 157360229
N-(4-dibenzofuran-4-ylphenyl)-12-naphthalen-2-yl-N-(4-phenylphenyl)-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 160719576
N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 166565735
N-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 170302496
12-naphthalen-2-yl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine
CID 160729458
N-(4-dibenzofuran-4-ylphenyl)-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-2-amine
CID 170676879
N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-4-amine
CID 122675382
N-(7,7-diphenylbenzo[g]fluoren-8-yl)-N-phenyldibenzofuran-1-amine;N-(9,9-diphenylfluoren-2-yl)-N,7,7-triphenylbenzo[g]fluoren-8-amine;N-naphthalen-2-yl-7,7-diphenyl-N-(4-phenylphenyl)benzo[g]fluoren-8-amine;N,7,7-triphenyl-N-(2-phenylphenyl)benzo[g]fluoren-8-amine
CID 162173102
6-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 165108468

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-12-naphthalen-2-yl-N-(2-phenylphenyl)-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?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-12-naphthalen-2-yl-N-(2-phenylphenyl)-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 157452132) is N-(9,9-diphenylfluoren-2-yl)-12-naphthalen-2-yl-N-(2-phenylphenyl)-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.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-12-naphthalen-2-yl-N-(2-phenylphenyl)-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?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-12-naphthalen-2-yl-N-(2-phenylphenyl)-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 is c1ccc(-c2ccccc2N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2cccc3c2oc2c(-c4ccc5ccccc5c4)c4c(cc23)oc2ccccc24)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-12-naphthalen-2-yl-N-(2-phenylphenyl)-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?
The InChIKey is BSXQONMKASQLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41NO2/c1-4-20-43(21-5-1)49-27-13-16-32-57(49)66(48-37-38-51-50-28-12-15-31-55(50)65(56(51)40-48,46-23-6-2-7-24-46)47-25-8-3-9-26-47)58-33-18-30-52-54-41-60-62(53-29-14-17-34-59(53)67-60)61(64(54)68-63(52)58)45-36-35-42-19-10-11-22-44(42)39-45/h1-41H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-12-naphthalen-2-yl-N-(2-phenylphenyl)-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?
N-(9,9-diphenylfluoren-2-yl)-12-naphthalen-2-yl-N-(2-phenylphenyl)-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 has a molecular weight of 868.05 g/mol, XLogP of 17.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-12-naphthalen-2-yl-N-(2-phenylphenyl)-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 is sourced from PubChem (CID 157452132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).