N-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-(3-methylphenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine

C55H41N — CID 130290189

IUPACN-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-(3-methylphenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
SMILESCc1cccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc3cc4c(cc3c2)C(C)(C)c2cc3ccccc3cc2-4)c1
InChIInChI=1S/C55H41N/c1-36-15-14-22-43(29-36)56(44-26-25-39-32-49-48-31-37-16-10-11-17-38(37)33-51(48)54(2,3)52(49)34-40(39)30-44)45-27-28-47-46-23-12-13-24-50(46)55(53(47)35-45,41-18-6-4-7-19-41)42-20-8-5-9-21-42/h4-35H,1-3H3
InChIKeyNHESKHLWAVKLOY-UHFFFAOYSA-N
MW715.94 g/mol
LogP14.44
Rot. Bonds5

About N-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-(3-methylphenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine

N-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-(3-methylphenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine (PubChem CID 130290189) has the molecular formula C55H41N and a molecular weight of 715.94 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-(3-methylphenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-(3-methylphenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
PubChem CID130290189
Molecular FormulaC55H41N
Molecular Weight715.94 g/mol
Exact Mass715.32
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-(3-methylphenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
SMILESCc1cccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc3cc4c(cc3c2)C(C)(C)c2cc3ccccc3cc2-4)c1
InChIInChI=1S/C55H41N/c1-36-15-14-22-43(29-36)56(44-26-25-39-32-49-48-31-37-16-10-11-17-38(37)33-51(48)54(2,3)52(49)34-40(39)30-44)45-27-28-47-46-23-12-13-24-50(46)55(53(47)35-45,41-18-6-4-7-19-41)42-20-8-5-9-21-42/h4-35H,1-3H3
InChIKeyNHESKHLWAVKLOY-UHFFFAOYSA-N
XLogP14.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.94
LogP ≤ 514.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-(3-methylphenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,11-triphenylbenzo[b]fluoren-2-amine
CID 118145932
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine
CID 138601435
7-N',17-N'-bis(3-methylphenyl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine;7-N',17-N'-bis(4-methylphenyl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
CID 158059948
N-(3-methylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7'-amine
CID 140962192
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-phenylbenzo[b]fluoren-7-amine
CID 156554324
6-N,16-N-bis(9,9-diphenylfluoren-2-yl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166033580
N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193981
N-(9,9-dimethylfluoren-2-yl)-11,11-diethyl-N-(3-methylphenyl)benzo[b]fluoren-2-amine
CID 177080145
12,12-dimethyl-N-phenyl-N-(7,7,12,12-tetramethylindeno[2,1-g]fluoren-9-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
CID 130290640
N-(9,9-diphenylfluoren-3-yl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 121423646
9,9-dimethyl-N-(3-methylphenyl)-N-naphthalen-2-yl-7-(4-phenylphenyl)fluoren-2-amine
CID 118428412
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-naphthalen-2-ylphenyl)benzo[b]fluoren-3-amine;N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-naphthalen-2-yl-5-phenylphenyl)benzo[b]fluoren-3-amine;N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-[4-(2-phenylphenyl)phenyl]benzo[b]fluoren-3-amine
CID 158615846

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-(3-methylphenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-(3-methylphenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine (CID 130290189) is N-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-(3-methylphenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-(3-methylphenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-(3-methylphenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine is Cc1cccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc3cc4c(cc3c2)C(C)(C)c2cc3ccccc3cc2-4)c1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-(3-methylphenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine?
The InChIKey is NHESKHLWAVKLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H41N/c1-36-15-14-22-43(29-36)56(44-26-25-39-32-49-48-31-37-16-10-11-17-38(37)33-51(48)54(2,3)52(49)34-40(39)30-44)45-27-28-47-46-23-12-13-24-50(46)55(53(47)35-45,41-18-6-4-7-19-41)42-20-8-5-9-21-42/h4-35H,1-3H3.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-(3-methylphenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine?
N-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-(3-methylphenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine has a molecular weight of 715.94 g/mol, XLogP of 14.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-(3-methylphenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine is sourced from PubChem (CID 130290189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).