16-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene

C48H32N4 — CID 135212588

IUPAC16-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene
SMILESCC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-n3c4ccccc4c4nc5c6ccccc6c6ccccc6n5c43)cc21
InChIInChI=1S/C48H32N4/c1-48(2)39-27-29(50-41-19-9-6-15-35(41)36-16-7-10-20-42(36)50)23-25-32(39)33-26-24-30(28-40(33)48)51-44-22-12-8-18-38(44)45-47(51)52-43-21-11-5-14-34(43)31-13-3-4-17-37(31)46(52)49-45/h3-28H,1-2H3
InChIKeyUUESXIHZXBEQRC-UHFFFAOYSA-N
MW664.81 g/mol
LogP12.14
Rot. Bonds2

About 16-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene

16-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene (PubChem CID 135212588) has the molecular formula C48H32N4 and a molecular weight of 664.81 g/mol. Its IUPAC name is 16-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene.

Molecular Properties

Compound Name16-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene
PubChem CID135212588
Molecular FormulaC48H32N4
Molecular Weight664.81 g/mol
Exact Mass664.26
IUPAC Name16-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene
SMILESCC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-n3c4ccccc4c4nc5c6ccccc6c6ccccc6n5c43)cc21
InChIInChI=1S/C48H32N4/c1-48(2)39-27-29(50-41-19-9-6-15-35(41)36-16-7-10-20-42(36)50)23-25-32(39)33-26-24-30(28-40(33)48)51-44-22-12-8-18-38(44)45-47(51)52-43-21-11-5-14-34(43)31-13-3-4-17-37(31)46(52)49-45/h3-28H,1-2H3
InChIKeyUUESXIHZXBEQRC-UHFFFAOYSA-N
XLogP12.14
TPSA27.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.81
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 16-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene with MolForge

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Related Compounds

16-[4-(9,9-dimethylfluoren-4-yl)phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene
CID 135212432
24-(9,9-dimethylfluoren-2-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene
CID 142565593
5-(9,9-dimethyl-7-pyrido[3,2-b]indol-5-ylfluoren-2-yl)pyrido[3,2-b]indole
CID 135131175
9-[9,9-dimethyl-7-(3-methylcarbazol-9-yl)fluoren-2-yl]-3-methylcarbazole
CID 86066589
7,17-di(carbazol-9-yl)-10,10,20,20-tetramethyl-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene
CID 163866831
9-(9,9-dimethylfluoren-2-yl)carbazole;toluene
CID 145272995
2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 121274445
7,7-dimethyl-5-phenyl-2-(9-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-19-yl)indeno[2,1-b]carbazole
CID 164744983
3-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 176786074
9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole
CID 118919712
3-bromo-9-(9,9-dimethylfluoren-2-yl)carbazole
CID 89472048
9-(9,9-dimethylfluoren-2-yl)-14-(9,9-dimethylfluoren-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122595589

Frequently Asked Questions

What is the IUPAC name of 16-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene?
The IUPAC name of 16-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene (CID 135212588) is 16-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene.
What is the SMILES notation for 16-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene?
The canonical SMILES for 16-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene is CC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-n3c4ccccc4c4nc5c6ccccc6c6ccccc6n5c43)cc21.
What is the InChIKey of 16-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene?
The InChIKey is UUESXIHZXBEQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N4/c1-48(2)39-27-29(50-41-19-9-6-15-35(41)36-16-7-10-20-42(36)50)23-25-32(39)33-26-24-30(28-40(33)48)51-44-22-12-8-18-38(44)45-47(51)52-43-21-11-5-14-34(43)31-13-3-4-17-37(31)46(52)49-45/h3-28H,1-2H3.
What are the key properties of 16-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene?
16-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene has a molecular weight of 664.81 g/mol, XLogP of 12.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene is sourced from PubChem (CID 135212588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).