18-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

C45H30N2O — CID 164795272

IUPAC18-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
SMILESCC1(C)c2cc(-c3cccc4c3-n3c5ccccc5c5cccc(c53)O4)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C45H30N2O/c1-45(2)36-25-27(29-14-9-19-41-43(29)47-40-18-8-5-13-34(40)35-15-10-20-42(48-41)44(35)47)21-23-30(36)31-24-22-28(26-37(31)45)46-38-16-6-3-11-32(38)33-12-4-7-17-39(33)46/h3-26H,1-2H3
InChIKeyPGYODLOREGXIAE-UHFFFAOYSA-N
MW614.75 g/mol
LogP11.96
Rot. Bonds2

About 18-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

18-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene (PubChem CID 164795272) has the molecular formula C45H30N2O and a molecular weight of 614.75 g/mol. Its IUPAC name is 18-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene.

Molecular Properties

Compound Name18-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
PubChem CID164795272
Molecular FormulaC45H30N2O
Molecular Weight614.75 g/mol
Exact Mass614.24
IUPAC Name18-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
SMILESCC1(C)c2cc(-c3cccc4c3-n3c5ccccc5c5cccc(c53)O4)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C45H30N2O/c1-45(2)36-25-27(29-14-9-19-41-43(29)47-40-18-8-5-13-34(40)35-15-10-20-42(48-41)44(35)47)21-23-30(36)31-24-22-28(26-37(31)45)46-38-16-6-3-11-32(38)33-12-4-7-17-39(33)46/h3-26H,1-2H3
InChIKeyPGYODLOREGXIAE-UHFFFAOYSA-N
XLogP11.96
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.75
LogP ≤ 511.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 18-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene with MolForge

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Related Compounds

18-[3-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 164795482
9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
CID 58676147
N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-yl-N-phenylfluoren-2-amine
CID 58390108
1-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole
CID 129312405
4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 122537506
9-(9,9-dimethylfluoren-2-yl)carbazole;toluene
CID 145272995
9-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]carbazole
CID 118595114
2-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole
CID 129312240
7-carbazol-9-yl-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 58390128
7-carbazol-9-yl-9,9-dimethyl-N,N-bis[3-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 58389919
8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 130289398
3-[4-[9,9-dimethyl-7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenylcarbazole
CID 59236172

Frequently Asked Questions

What is the IUPAC name of 18-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The IUPAC name of 18-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene (CID 164795272) is 18-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene.
What is the SMILES notation for 18-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The canonical SMILES for 18-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene is CC1(C)c2cc(-c3cccc4c3-n3c5ccccc5c5cccc(c53)O4)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 18-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The InChIKey is PGYODLOREGXIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2O/c1-45(2)36-25-27(29-14-9-19-41-43(29)47-40-18-8-5-13-34(40)35-15-10-20-42(48-41)44(35)47)21-23-30(36)31-24-22-28(26-37(31)45)46-38-16-6-3-11-32(38)33-12-4-7-17-39(33)46/h3-26H,1-2H3.
What are the key properties of 18-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
18-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene has a molecular weight of 614.75 g/mol, XLogP of 11.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 18-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene is sourced from PubChem (CID 164795272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).