9-(9,9-dimethylfluoren-2-yl)-16-naphthalen-2-yl-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene

C46H30N2 — CID 89309456

IUPAC9-(9,9-dimethylfluoren-2-yl)-16-naphthalen-2-yl-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4cnccc4c4c5ccc6ccc(-c7ccc8ccccc8c7)c7ccc(cc43)c5c67)cc21
InChIInChI=1S/C46H30N2/c1-46(2)39-10-6-5-9-34(39)35-20-16-32(25-40(35)46)48-41-24-31-15-18-36-33(30-12-11-27-7-3-4-8-29(27)23-30)17-13-28-14-19-38(44(31)43(28)36)45(41)37-21-22-47-26-42(37)48/h3-26H,1-2H3
InChIKeyUNLLBWIYUJPDDS-UHFFFAOYSA-N
MW610.76 g/mol
LogP12.20
Rot. Bonds2

About 9-(9,9-dimethylfluoren-2-yl)-16-naphthalen-2-yl-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene

9-(9,9-dimethylfluoren-2-yl)-16-naphthalen-2-yl-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene (PubChem CID 89309456) has the molecular formula C46H30N2 and a molecular weight of 610.76 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-16-naphthalen-2-yl-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-2-yl)-16-naphthalen-2-yl-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene
PubChem CID89309456
Molecular FormulaC46H30N2
Molecular Weight610.76 g/mol
Exact Mass610.24
IUPAC Name9-(9,9-dimethylfluoren-2-yl)-16-naphthalen-2-yl-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4cnccc4c4c5ccc6ccc(-c7ccc8ccccc8c7)c7ccc(cc43)c5c67)cc21
InChIInChI=1S/C46H30N2/c1-46(2)39-10-6-5-9-34(39)35-20-16-32(25-40(35)46)48-41-24-31-15-18-36-33(30-12-11-27-7-3-4-8-29(27)23-30)17-13-28-14-19-38(44(31)43(28)36)45(41)37-21-22-47-26-42(37)48/h3-26H,1-2H3
InChIKeyUNLLBWIYUJPDDS-UHFFFAOYSA-N
XLogP12.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.76
LogP ≤ 512.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-(9,9-dimethylfluoren-2-yl)-16-naphthalen-2-yl-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene 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

9-(9,9-dimethylfluoren-2-yl)-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene
CID 89309453
N-(9,9-dimethylfluoren-2-yl)-N,9-diphenyl-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-amine
CID 89309470
6,6,12,12-tetramethyl-2-(6-naphthalen-2-ylpyren-1-yl)indeno[1,2-b]fluorene
CID 59390153
9-(4-carbazol-9-ylphenyl)-5,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene;16-(9,9-dimethylfluoren-2-yl)-9-phenyl-5,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;N-[4-(9-phenyl-5,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine
CID 159556485
9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylcarbazol-3-yl]-6-naphthalen-2-ylcarbazole
CID 162081661
2-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole
CID 129312240
4-N-[9,9-dimethyl-7-(9-naphthalen-2-yl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-6-yl)fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 90305743
1-[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene
CID 123435588
1-[6-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-2-yl]pyrene
CID 59217278
4-[5-(9,9-dimethylfluoren-2-yl)-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-18-yl]-N,N-diphenylaniline;methane
CID 161076042
8,8-dimethyl-16-(4-naphthalen-2-ylphenyl)-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene
CID 134509949
16-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene
CID 134509925

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-16-naphthalen-2-yl-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene?
The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-16-naphthalen-2-yl-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene (CID 89309456) is 9-(9,9-dimethylfluoren-2-yl)-16-naphthalen-2-yl-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene.
What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-16-naphthalen-2-yl-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene?
The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-16-naphthalen-2-yl-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene is CC1(C)c2ccccc2-c2ccc(-n3c4cnccc4c4c5ccc6ccc(-c7ccc8ccccc8c7)c7ccc(cc43)c5c67)cc21.
What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-16-naphthalen-2-yl-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene?
The InChIKey is UNLLBWIYUJPDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2/c1-46(2)39-10-6-5-9-34(39)35-20-16-32(25-40(35)46)48-41-24-31-15-18-36-33(30-12-11-27-7-3-4-8-29(27)23-30)17-13-28-14-19-38(44(31)43(28)36)45(41)37-21-22-47-26-42(37)48/h3-26H,1-2H3.
What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-16-naphthalen-2-yl-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene?
9-(9,9-dimethylfluoren-2-yl)-16-naphthalen-2-yl-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene has a molecular weight of 610.76 g/mol, XLogP of 12.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-2-yl)-16-naphthalen-2-yl-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene is sourced from PubChem (CID 89309456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).