N-[4-[(9R)-15-dibenzothiophen-3-yl-9-tetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,10,12,14,16-octaenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

C57H41NS — CID 144990328

IUPACN-[4-[(9R)-15-dibenzothiophen-3-yl-9-tetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,10,12,14,16-octaenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc([C@H]4Cc5ccccc5-c5ccc(-c6ccc7c(c6)sc6ccccc67)c6cccc4c56)cc3)cc21
InChIInChI=1S/C57H41NS/c1-57(2)52-21-10-8-17-44(52)45-30-28-41(35-53(45)57)58(39-14-4-3-5-15-39)40-26-23-36(24-27-40)51-33-37-13-6-7-16-42(37)50-32-31-43(48-19-12-20-49(51)56(48)50)38-25-29-47-46-18-9-11-22-54(46)59-55(47)34-38/h3-32,34-35,51H,33H2,1-2H3/t51-/m1/s1
InChIKeyUSEAEQKNKGKKPQ-NLXJDERGSA-N
MW772.03 g/mol
LogP16.01
Rot. Bonds5

About N-[4-[(9R)-15-dibenzothiophen-3-yl-9-tetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,10,12,14,16-octaenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

N-[4-[(9R)-15-dibenzothiophen-3-yl-9-tetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,10,12,14,16-octaenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (PubChem CID 144990328) has the molecular formula C57H41NS and a molecular weight of 772.03 g/mol. Its IUPAC name is N-[4-[(9R)-15-dibenzothiophen-3-yl-9-tetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,10,12,14,16-octaenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-[(9R)-15-dibenzothiophen-3-yl-9-tetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,10,12,14,16-octaenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
PubChem CID144990328
Molecular FormulaC57H41NS
Molecular Weight772.03 g/mol
Exact Mass771.30
IUPAC NameN-[4-[(9R)-15-dibenzothiophen-3-yl-9-tetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,10,12,14,16-octaenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc([C@H]4Cc5ccccc5-c5ccc(-c6ccc7c(c6)sc6ccccc67)c6cccc4c56)cc3)cc21
InChIInChI=1S/C57H41NS/c1-57(2)52-21-10-8-17-44(52)45-30-28-41(35-53(45)57)58(39-14-4-3-5-15-39)40-26-23-36(24-27-40)51-33-37-13-6-7-16-42(37)50-32-31-43(48-19-12-20-49(51)56(48)50)38-25-29-47-46-18-9-11-22-54(46)59-55(47)34-38/h3-32,34-35,51H,33H2,1-2H3/t51-/m1/s1
InChIKeyUSEAEQKNKGKKPQ-NLXJDERGSA-N
XLogP16.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.03
LogP ≤ 516.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-[(9R)-15-dibenzothiophen-3-yl-9-tetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,10,12,14,16-octaenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine with MolForge

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Related Compounds

N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839548
9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(10-phenyl-24-thiahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1,3(12),4(9),5,7,13,15,17(25),18,20,22-undecaen-6-yl)phenyl]fluoren-2-amine
CID 126718119
N-[4-(10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 146647899
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline
CID 168839480
N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121323910
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121323471
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-5-amine
CID 167177573
7-N,7-N-diphenyl-2-N-(10-phenyl-9,10-dihydrophenanthren-3-yl)-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 154955324
N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 154961628
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-naphthalen-2-ylaniline
CID 167323779
N-(4-dibenzothiophen-3-ylphenyl)-9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)fluoren-2-amine
CID 134464879
N-(2-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 139568036

Frequently Asked Questions

What is the IUPAC name of N-[4-[(9R)-15-dibenzothiophen-3-yl-9-tetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,10,12,14,16-octaenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The IUPAC name of N-[4-[(9R)-15-dibenzothiophen-3-yl-9-tetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,10,12,14,16-octaenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (CID 144990328) is N-[4-[(9R)-15-dibenzothiophen-3-yl-9-tetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,10,12,14,16-octaenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.
What is the SMILES notation for N-[4-[(9R)-15-dibenzothiophen-3-yl-9-tetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,10,12,14,16-octaenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The canonical SMILES for N-[4-[(9R)-15-dibenzothiophen-3-yl-9-tetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,10,12,14,16-octaenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc([C@H]4Cc5ccccc5-c5ccc(-c6ccc7c(c6)sc6ccccc67)c6cccc4c56)cc3)cc21.
What is the InChIKey of N-[4-[(9R)-15-dibenzothiophen-3-yl-9-tetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,10,12,14,16-octaenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The InChIKey is USEAEQKNKGKKPQ-NLXJDERGSA-N. The full InChI is InChI=1S/C57H41NS/c1-57(2)52-21-10-8-17-44(52)45-30-28-41(35-53(45)57)58(39-14-4-3-5-15-39)40-26-23-36(24-27-40)51-33-37-13-6-7-16-42(37)50-32-31-43(48-19-12-20-49(51)56(48)50)38-25-29-47-46-18-9-11-22-54(46)59-55(47)34-38/h3-32,34-35,51H,33H2,1-2H3/t51-/m1/s1.
What are the key properties of N-[4-[(9R)-15-dibenzothiophen-3-yl-9-tetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,10,12,14,16-octaenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
N-[4-[(9R)-15-dibenzothiophen-3-yl-9-tetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,10,12,14,16-octaenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine has a molecular weight of 772.03 g/mol, XLogP of 16.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(9R)-15-dibenzothiophen-3-yl-9-tetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,10,12,14,16-octaenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 144990328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).