22-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-10,10-dimethyl-18-(9-phenylcarbazol-2-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene

C56H44N2 — CID 118362888

IUPAC22-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-10,10-dimethyl-18-(9-phenylcarbazol-2-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)C=Cc1cc(-c2ccc4c5ccccc5n(-c5ccccc5)c4c2)ccc1N3c1ccc2c(c1)C(C)(C)C1CC=CC=C21
InChIInChI=1S/C56H44N2/c1-55(2)48-20-12-9-17-42(48)46-34-53-38(31-49(46)55)23-22-37-30-35(36-24-27-45-44-18-10-13-21-52(44)57(54(45)32-36)39-14-6-5-7-15-39)25-29-51(37)58(53)40-26-28-43-41-16-8-11-19-47(41)56(3,4)50(43)33-40/h5-18,20-34,47H,19H2,1-4H3
InChIKeyMBVYXFDRFFUWBM-UHFFFAOYSA-N
MW744.98 g/mol
LogP14.96
Rot. Bonds3

About 22-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-10,10-dimethyl-18-(9-phenylcarbazol-2-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene

22-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-10,10-dimethyl-18-(9-phenylcarbazol-2-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene (PubChem CID 118362888) has the molecular formula C56H44N2 and a molecular weight of 744.98 g/mol. Its IUPAC name is 22-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-10,10-dimethyl-18-(9-phenylcarbazol-2-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene.

Molecular Properties

Compound Name22-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-10,10-dimethyl-18-(9-phenylcarbazol-2-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene
PubChem CID118362888
Molecular FormulaC56H44N2
Molecular Weight744.98 g/mol
Exact Mass744.35
IUPAC Name22-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-10,10-dimethyl-18-(9-phenylcarbazol-2-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)C=Cc1cc(-c2ccc4c5ccccc5n(-c5ccccc5)c4c2)ccc1N3c1ccc2c(c1)C(C)(C)C1CC=CC=C21
InChIInChI=1S/C56H44N2/c1-55(2)48-20-12-9-17-42(48)46-34-53-38(31-49(46)55)23-22-37-30-35(36-24-27-45-44-18-10-13-21-52(44)57(54(45)32-36)39-14-6-5-7-15-39)25-29-51(37)58(53)40-26-28-43-41-16-8-11-19-47(41)56(3,4)50(43)33-40/h5-18,20-34,47H,19H2,1-4H3
InChIKeyMBVYXFDRFFUWBM-UHFFFAOYSA-N
XLogP14.96
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.98
LogP ≤ 514.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 22-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-10,10-dimethyl-18-(9-phenylcarbazol-2-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene with MolForge

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Related Compounds

10,10-dimethyl-18-(9-phenylcarbazol-2-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene
CID 118362674
10,10-dimethyl-22-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-18-(9-phenylcarbazol-3-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene
CID 118362782
9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole
CID 118919712
15-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492385
10,10-dimethyl-18-(9-phenylcarbazol-3-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene;molecular hydrogen
CID 144914740
N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
CID 70883649
3-[9-(9,9-dimethylfluoren-3-yl)-4b,5-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 167134855
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
15-[4-(11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492388
9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 146564352

Frequently Asked Questions

What is the IUPAC name of 22-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-10,10-dimethyl-18-(9-phenylcarbazol-2-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene?
The IUPAC name of 22-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-10,10-dimethyl-18-(9-phenylcarbazol-2-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene (CID 118362888) is 22-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-10,10-dimethyl-18-(9-phenylcarbazol-2-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene.
What is the SMILES notation for 22-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-10,10-dimethyl-18-(9-phenylcarbazol-2-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene?
The canonical SMILES for 22-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-10,10-dimethyl-18-(9-phenylcarbazol-2-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene is CC1(C)c2ccccc2-c2cc3c(cc21)C=Cc1cc(-c2ccc4c5ccccc5n(-c5ccccc5)c4c2)ccc1N3c1ccc2c(c1)C(C)(C)C1CC=CC=C21.
What is the InChIKey of 22-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-10,10-dimethyl-18-(9-phenylcarbazol-2-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene?
The InChIKey is MBVYXFDRFFUWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44N2/c1-55(2)48-20-12-9-17-42(48)46-34-53-38(31-49(46)55)23-22-37-30-35(36-24-27-45-44-18-10-13-21-52(44)57(54(45)32-36)39-14-6-5-7-15-39)25-29-51(37)58(53)40-26-28-43-41-16-8-11-19-47(41)56(3,4)50(43)33-40/h5-18,20-34,47H,19H2,1-4H3.
What are the key properties of 22-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-10,10-dimethyl-18-(9-phenylcarbazol-2-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene?
22-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-10,10-dimethyl-18-(9-phenylcarbazol-2-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene has a molecular weight of 744.98 g/mol, XLogP of 14.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 22-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-10,10-dimethyl-18-(9-phenylcarbazol-2-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene is sourced from PubChem (CID 118362888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).