N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine

C55H40N2S — CID 129124364

IUPACN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine
SMILESCC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=NC6=CC=CC=C6C7=C5C=CC8=C7SC9=CC=CC=C89)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)C
InChIInChI=1S/C55H40N2S/c1-54(2)45-17-9-5-13-37(45)39-27-25-35(31-47(39)54)57(36-26-28-40-38-14-6-10-18-46(38)55(3,4)48(40)32-36)34-23-21-33(22-24-34)52-44-30-29-42-41-15-8-12-20-50(41)58-53(42)51(44)43-16-7-11-19-49(43)56-52/h5-32H,1-4H3
InChIKeyZSNRDNNBWYUWHG-UHFFFAOYSA-N
MW761.00 g/mol
LogP15.70
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine (PubChem CID 129124364) has the molecular formula C55H40N2S and a molecular weight of 761.00 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine
PubChem CID129124364
Molecular FormulaC55H40N2S
Molecular Weight761.00 g/mol
Exact Mass760.29
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine
SMILESCC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=NC6=CC=CC=C6C7=C5C=CC8=C7SC9=CC=CC=C89)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)C
InChIInChI=1S/C55H40N2S/c1-54(2)45-17-9-5-13-37(45)39-27-25-35(31-47(39)54)57(36-26-28-40-38-14-6-10-18-46(38)55(3,4)48(40)32-36)34-23-21-33(22-24-34)52-44-30-29-42-41-15-8-12-20-50(41)58-53(42)51(44)43-16-7-11-19-49(43)56-52/h5-32H,1-4H3
InChIKeyZSNRDNNBWYUWHG-UHFFFAOYSA-N
XLogP15.70
TPSA44.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms58
Complexity1400

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.00
LogP ≤ 515.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-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

CID 168328608
CID 168328608
CID 10795141
CID 10795141
CID 15476351
CID 15476351
CID 152476788
CID 152476788
CID 58500491
CID 58500491
CID 58500504
CID 58500504
CID 58500506
CID 58500506
CID 58500513
CID 58500513
CID 58500552
CID 58500552
CID 58500554
CID 58500554
CID 58500567
CID 58500567
CID 58500600
CID 58500600

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine (CID 129124364) is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine is CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=NC6=CC=CC=C6C7=C5C=CC8=C7SC9=CC=CC=C89)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)C.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine?
The InChIKey is ZSNRDNNBWYUWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N2S/c1-54(2)45-17-9-5-13-37(45)39-27-25-35(31-47(39)54)57(36-26-28-40-38-14-6-10-18-46(38)55(3,4)48(40)32-36)34-23-21-33(22-24-34)52-44-30-29-42-41-15-8-12-20-50(41)58-53(42)51(44)43-16-7-11-19-49(43)56-52/h5-32H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine?
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine has a molecular weight of 761.00 g/mol, XLogP of 15.70, 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)-9,9-dimethyl-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 129124364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).