5-(9,9-dimethylfluoren-2-yl)-12-(9,9-dimethylfluoren-4-yl)indolo[3,2-c]carbazole

C48H36N2 — CID 122595548

IUPAC5-(9,9-dimethylfluoren-2-yl)-12-(9,9-dimethylfluoren-4-yl)indolo[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc6c5-c5ccccc5C6(C)C)c34)cc21
InChIInChI=1S/C48H36N2/c1-47(2)37-19-10-6-16-34(37)44-38(47)20-13-23-42(44)50-40-21-11-7-15-32(40)33-26-27-43-45(46(33)50)35-17-8-12-22-41(35)49(43)29-24-25-31-30-14-5-9-18-36(30)48(3,4)39(31)28-29/h5-28H,1-4H3
InChIKeyWQYJVFUGRRUYMI-UHFFFAOYSA-N
MW640.83 g/mol
LogP12.49
Rot. Bonds2

About 5-(9,9-dimethylfluoren-2-yl)-12-(9,9-dimethylfluoren-4-yl)indolo[3,2-c]carbazole

5-(9,9-dimethylfluoren-2-yl)-12-(9,9-dimethylfluoren-4-yl)indolo[3,2-c]carbazole (PubChem CID 122595548) has the molecular formula C48H36N2 and a molecular weight of 640.83 g/mol. Its IUPAC name is 5-(9,9-dimethylfluoren-2-yl)-12-(9,9-dimethylfluoren-4-yl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(9,9-dimethylfluoren-2-yl)-12-(9,9-dimethylfluoren-4-yl)indolo[3,2-c]carbazole
PubChem CID122595548
Molecular FormulaC48H36N2
Molecular Weight640.83 g/mol
Exact Mass640.29
IUPAC Name5-(9,9-dimethylfluoren-2-yl)-12-(9,9-dimethylfluoren-4-yl)indolo[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc6c5-c5ccccc5C6(C)C)c34)cc21
InChIInChI=1S/C48H36N2/c1-47(2)37-19-10-6-16-34(37)44-38(47)20-13-23-42(44)50-40-21-11-7-15-32(40)33-26-27-43-45(46(33)50)35-17-8-12-22-41(35)49(43)29-24-25-31-30-14-5-9-18-36(30)48(3,4)39(31)28-29/h5-28H,1-4H3
InChIKeyWQYJVFUGRRUYMI-UHFFFAOYSA-N
XLogP12.49
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.83
LogP ≤ 512.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(9,9-dimethylfluoren-2-yl)-12-(9,9-dimethylfluoren-4-yl)indolo[3,2-c]carbazole;12-(9,9-dimethylfluoren-1-yl)-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole;5-(9,9-dimethylfluoren-2-yl)-12-phenylindolo[3,2-c]carbazole;5-(9,9-dimethylfluoren-2-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 158730549
9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-14-(9,9-dimethylfluoren-2-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 122469773
12-dibenzoselenophen-3-yl-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole
CID 140744291
12-dibenzofuran-2-yl-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole
CID 122595550
4-(9,9-dimethylfluoren-2-yl)-22-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;11-(9,9-dimethylfluoren-2-yl)-20-phenyl-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;11-(9,9-dimethylfluoren-2-yl)-22-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene
CID 160795602
5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 90057414
5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 171414999
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
9-(9,9-dimethylfluoren-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 122465554
2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 121274445
5-(9,9-dimethylfluoren-2-yl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-c]carbazole
CID 138649925
3-(9,9-dimethylfluoren-4-yl)-22-phenyl-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene
CID 122465550

Frequently Asked Questions

What is the IUPAC name of 5-(9,9-dimethylfluoren-2-yl)-12-(9,9-dimethylfluoren-4-yl)indolo[3,2-c]carbazole?
The IUPAC name of 5-(9,9-dimethylfluoren-2-yl)-12-(9,9-dimethylfluoren-4-yl)indolo[3,2-c]carbazole (CID 122595548) is 5-(9,9-dimethylfluoren-2-yl)-12-(9,9-dimethylfluoren-4-yl)indolo[3,2-c]carbazole.
What is the SMILES notation for 5-(9,9-dimethylfluoren-2-yl)-12-(9,9-dimethylfluoren-4-yl)indolo[3,2-c]carbazole?
The canonical SMILES for 5-(9,9-dimethylfluoren-2-yl)-12-(9,9-dimethylfluoren-4-yl)indolo[3,2-c]carbazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc6c5-c5ccccc5C6(C)C)c34)cc21.
What is the InChIKey of 5-(9,9-dimethylfluoren-2-yl)-12-(9,9-dimethylfluoren-4-yl)indolo[3,2-c]carbazole?
The InChIKey is WQYJVFUGRRUYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N2/c1-47(2)37-19-10-6-16-34(37)44-38(47)20-13-23-42(44)50-40-21-11-7-15-32(40)33-26-27-43-45(46(33)50)35-17-8-12-22-41(35)49(43)29-24-25-31-30-14-5-9-18-36(30)48(3,4)39(31)28-29/h5-28H,1-4H3.
What are the key properties of 5-(9,9-dimethylfluoren-2-yl)-12-(9,9-dimethylfluoren-4-yl)indolo[3,2-c]carbazole?
5-(9,9-dimethylfluoren-2-yl)-12-(9,9-dimethylfluoren-4-yl)indolo[3,2-c]carbazole has a molecular weight of 640.83 g/mol, XLogP of 12.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,9-dimethylfluoren-2-yl)-12-(9,9-dimethylfluoren-4-yl)indolo[3,2-c]carbazole is sourced from PubChem (CID 122595548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).