12-dibenzofuran-2-yl-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole

C45H30N2O — CID 122595550

IUPAC12-dibenzofuran-2-yl-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccc6oc7ccccc7c6c5)c34)cc21
InChIInChI=1S/C45H30N2O/c1-45(2)36-15-7-3-11-29(36)30-21-19-28(26-37(30)45)46-39-17-9-5-14-34(39)43-40(46)23-22-33-31-12-4-8-16-38(31)47(44(33)43)27-20-24-42-35(25-27)32-13-6-10-18-41(32)48-42/h3-26H,1-2H3
InChIKeyUWIJFYPDWIVEST-UHFFFAOYSA-N
MW614.75 g/mol
LogP12.09
Rot. Bonds2

About 12-dibenzofuran-2-yl-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole

12-dibenzofuran-2-yl-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole (PubChem CID 122595550) has the molecular formula C45H30N2O and a molecular weight of 614.75 g/mol. Its IUPAC name is 12-dibenzofuran-2-yl-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-dibenzofuran-2-yl-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole
PubChem CID122595550
Molecular FormulaC45H30N2O
Molecular Weight614.75 g/mol
Exact Mass614.24
IUPAC Name12-dibenzofuran-2-yl-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccc6oc7ccccc7c6c5)c34)cc21
InChIInChI=1S/C45H30N2O/c1-45(2)36-15-7-3-11-29(36)30-21-19-28(26-37(30)45)46-39-17-9-5-14-34(39)43-40(46)23-22-33-31-12-4-8-16-38(31)47(44(33)43)27-20-24-42-35(25-27)32-13-6-10-18-41(32)48-42/h3-26H,1-2H3
InChIKeyUWIJFYPDWIVEST-UHFFFAOYSA-N
XLogP12.09
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.75
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[24-dibenzofuran-2-yl-15-(9,9-dimethylfluoren-2-yl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine
CID 118651753
9-dibenzofuran-2-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzofuran-2-yl-7,7-dimethylindeno[1,2-a]carbazole;5-dibenzofuran-2-yl-7,7-dimethylindeno[2,1-b]carbazole;5-dibenzofuran-2-yl-12,12-dimethylindeno[1,2-c]carbazole
CID 159024447
9-dibenzofuran-2-yl-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazole
CID 129312344
5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 90057414
3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 158323830
12-dibenzoselenophen-3-yl-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole
CID 140744291
12-dibenzofuran-2-yl-5-naphthalen-2-ylindolo[3,2-c]carbazole
CID 167030159
5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 89472024
5-(9,9-dimethylfluoren-2-yl)-12-(9,9-dimethylfluoren-4-yl)indolo[3,2-c]carbazole
CID 122595548
5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 171414999
2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 121274445
12-dibenzofuran-2-yl-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 163700915

Frequently Asked Questions

What is the IUPAC name of 12-dibenzofuran-2-yl-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole?
The IUPAC name of 12-dibenzofuran-2-yl-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole (CID 122595550) is 12-dibenzofuran-2-yl-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole.
What is the SMILES notation for 12-dibenzofuran-2-yl-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole?
The canonical SMILES for 12-dibenzofuran-2-yl-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccc6oc7ccccc7c6c5)c34)cc21.
What is the InChIKey of 12-dibenzofuran-2-yl-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole?
The InChIKey is UWIJFYPDWIVEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2O/c1-45(2)36-15-7-3-11-29(36)30-21-19-28(26-37(30)45)46-39-17-9-5-14-34(39)43-40(46)23-22-33-31-12-4-8-16-38(31)47(44(33)43)27-20-24-42-35(25-27)32-13-6-10-18-41(32)48-42/h3-26H,1-2H3.
What are the key properties of 12-dibenzofuran-2-yl-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole?
12-dibenzofuran-2-yl-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole has a molecular weight of 614.75 g/mol, XLogP of 12.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-dibenzofuran-2-yl-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole is sourced from PubChem (CID 122595550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).