12-(9,9-dimethylfluoren-2-yl)-18-naphthalen-1-yl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene

C49H32N2O — CID 121286550

IUPAC12-(9,9-dimethylfluoren-2-yl)-18-naphthalen-1-yl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc5c6ccc7c8ccccc8n(-c8cccc9ccccc89)c7c6oc5c43)cc21
InChIInChI=1S/C49H32N2O/c1-49(2)40-18-8-5-15-32(40)33-23-22-30(28-41(33)49)50-43-19-9-6-16-34(43)36-24-26-38-39-27-25-37-35-17-7-10-20-44(35)51(46(37)48(39)52-47(38)45(36)50)42-21-11-13-29-12-3-4-14-31(29)42/h3-28H,1-2H3
InChIKeyHCKFYVMTIMRTSX-UHFFFAOYSA-N
MW664.81 g/mol
LogP13.24
Rot. Bonds2

About 12-(9,9-dimethylfluoren-2-yl)-18-naphthalen-1-yl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene

12-(9,9-dimethylfluoren-2-yl)-18-naphthalen-1-yl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene (PubChem CID 121286550) has the molecular formula C49H32N2O and a molecular weight of 664.81 g/mol. Its IUPAC name is 12-(9,9-dimethylfluoren-2-yl)-18-naphthalen-1-yl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene.

Molecular Properties

Compound Name12-(9,9-dimethylfluoren-2-yl)-18-naphthalen-1-yl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
PubChem CID121286550
Molecular FormulaC49H32N2O
Molecular Weight664.81 g/mol
Exact Mass664.25
IUPAC Name12-(9,9-dimethylfluoren-2-yl)-18-naphthalen-1-yl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc5c6ccc7c8ccccc8n(-c8cccc9ccccc89)c7c6oc5c43)cc21
InChIInChI=1S/C49H32N2O/c1-49(2)40-18-8-5-15-32(40)33-23-22-30(28-41(33)49)50-43-19-9-6-16-34(43)36-24-26-38-39-27-25-37-35-17-7-10-20-44(35)51(46(37)48(39)52-47(38)45(36)50)42-21-11-13-29-12-3-4-14-31(29)42/h3-28H,1-2H3
InChIKeyHCKFYVMTIMRTSX-UHFFFAOYSA-N
XLogP13.24
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.81
LogP ≤ 513.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 12-(9,9-dimethylfluoren-2-yl)-18-naphthalen-1-yl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene with MolForge

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Related Compounds

11'-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
CID 123926035
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]fluoren-2-amine
CID 121369243
12-dibenzofuran-4-yl-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole;12-dibenzofuran-4-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;12-dibenzofuran-4-yl-3-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole
CID 160883753
7-(9,9-dimethylfluoren-2-yl)-18-(9-naphthalen-1-ylcarbazol-3-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
CID 170651740
11-(9,9-dimethylfluoren-3-yl)isochromeno[3,4-a]carbazol-13-one
CID 118248343
7-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-18-(9-naphthalen-1-ylcarbazol-1-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
CID 170652034
7-(9,9-dimethylfluoren-2-yl)-18-(9-naphthalen-1-ylcarbazol-3-yl)-24-phenyl-7,18,24-triazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
CID 170651734
12,12-dimethyl-11-naphthalen-1-yl-8-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-a]carbazole
CID 121344070
1-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole
CID 129312405
11-(9,9-dimethylfluoren-2-yl)-12-(2,6-diphenyl-4-pyridinyl)indolo[2,3-a]carbazole
CID 121385351
12-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-[1]benzothiolo[3,2-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole
CID 157483474
5-(9,9-dimethylfluoren-2-yl)-12-(9,9-dimethylfluoren-4-yl)indolo[3,2-c]carbazole
CID 122595548

Frequently Asked Questions

What is the IUPAC name of 12-(9,9-dimethylfluoren-2-yl)-18-naphthalen-1-yl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene?
The IUPAC name of 12-(9,9-dimethylfluoren-2-yl)-18-naphthalen-1-yl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene (CID 121286550) is 12-(9,9-dimethylfluoren-2-yl)-18-naphthalen-1-yl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene.
What is the SMILES notation for 12-(9,9-dimethylfluoren-2-yl)-18-naphthalen-1-yl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene?
The canonical SMILES for 12-(9,9-dimethylfluoren-2-yl)-18-naphthalen-1-yl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc5c6ccc7c8ccccc8n(-c8cccc9ccccc89)c7c6oc5c43)cc21.
What is the InChIKey of 12-(9,9-dimethylfluoren-2-yl)-18-naphthalen-1-yl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene?
The InChIKey is HCKFYVMTIMRTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2O/c1-49(2)40-18-8-5-15-32(40)33-23-22-30(28-41(33)49)50-43-19-9-6-16-34(43)36-24-26-38-39-27-25-37-35-17-7-10-20-44(35)51(46(37)48(39)52-47(38)45(36)50)42-21-11-13-29-12-3-4-14-31(29)42/h3-28H,1-2H3.
What are the key properties of 12-(9,9-dimethylfluoren-2-yl)-18-naphthalen-1-yl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene?
12-(9,9-dimethylfluoren-2-yl)-18-naphthalen-1-yl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene has a molecular weight of 664.81 g/mol, XLogP of 13.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(9,9-dimethylfluoren-2-yl)-18-naphthalen-1-yl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene is sourced from PubChem (CID 121286550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).