5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-7H-indolo[2,3-b]carbazole

C32H30N2 — CID 167267797

IUPAC5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-7H-indolo[2,3-b]carbazole
SMILESCC1(C)CCC(C)(C)c2cc(-n3c4ccccc4c4cc5c(cc43)[nH]c3ccccc35)ccc21
InChIInChI=1S/C32H30N2/c1-31(2)15-16-32(3,4)26-17-20(13-14-25(26)31)34-29-12-8-6-10-22(29)24-18-23-21-9-5-7-11-27(21)33-28(23)19-30(24)34/h5-14,17-19,33H,15-16H2,1-4H3
InChIKeyKIMGZMDVHKKGKM-UHFFFAOYSA-N
MW442.61 g/mol
LogP8.77
Rot. Bonds1

About 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-7H-indolo[2,3-b]carbazole

5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-7H-indolo[2,3-b]carbazole (PubChem CID 167267797) has the molecular formula C32H30N2 and a molecular weight of 442.61 g/mol. Its IUPAC name is 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-7H-indolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-7H-indolo[2,3-b]carbazole
PubChem CID167267797
Molecular FormulaC32H30N2
Molecular Weight442.61 g/mol
Exact Mass442.24
IUPAC Name5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-7H-indolo[2,3-b]carbazole
SMILESCC1(C)CCC(C)(C)c2cc(-n3c4ccccc4c4cc5c(cc43)[nH]c3ccccc35)ccc21
InChIInChI=1S/C32H30N2/c1-31(2)15-16-32(3,4)26-17-20(13-14-25(26)31)34-29-12-8-6-10-22(29)24-18-23-21-9-5-7-11-27(21)33-28(23)19-30(24)34/h5-14,17-19,33H,15-16H2,1-4H3
InChIKeyKIMGZMDVHKKGKM-UHFFFAOYSA-N
XLogP8.77
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.61
LogP ≤ 58.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4-fluorophenyl)-7H-indolo[2,3-b]carbazole
CID 147994164
CID 174138943
CID 174138943
3-carbazol-9-yl-9-[9-[9-[9-[9-[9-(9H-carbazol-3-yl)carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 25208834
11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 139504800
3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazole
CID 170277812
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 167267861
11-phenyl-11,15,20-triazaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.021,26]octacosa-1(17),2(14),3,5,7,9,12,18,21,23,25,27-dodecaen-16-one
CID 168933239
22,22,25,25-tetramethyl-14-phenyl-18-(9-phenylcarbazol-3-yl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19,21(26),27-undecaene
CID 177086872
diphenyl-[4-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane
CID 177285286
9-(9H-carbazol-2-yl)-2-phenylcarbazole
CID 170086059
22,22,25,25-tetramethyl-14-phenyl-18-(9-phenylcarbazol-2-yl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19,21(26),27-undecaene
CID 177086589
21,21,24,24-tetramethyl-14-phenyl-28-(9-phenylcarbazol-3-yl)-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20(25),26-undecaene
CID 177086735

Frequently Asked Questions

What is the IUPAC name of 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-7H-indolo[2,3-b]carbazole?
The IUPAC name of 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-7H-indolo[2,3-b]carbazole (CID 167267797) is 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-7H-indolo[2,3-b]carbazole.
What is the SMILES notation for 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-7H-indolo[2,3-b]carbazole?
The canonical SMILES for 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-7H-indolo[2,3-b]carbazole is CC1(C)CCC(C)(C)c2cc(-n3c4ccccc4c4cc5c(cc43)[nH]c3ccccc35)ccc21.
What is the InChIKey of 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-7H-indolo[2,3-b]carbazole?
The InChIKey is KIMGZMDVHKKGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2/c1-31(2)15-16-32(3,4)26-17-20(13-14-25(26)31)34-29-12-8-6-10-22(29)24-18-23-21-9-5-7-11-27(21)33-28(23)19-30(24)34/h5-14,17-19,33H,15-16H2,1-4H3.
What are the key properties of 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-7H-indolo[2,3-b]carbazole?
5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-7H-indolo[2,3-b]carbazole has a molecular weight of 442.61 g/mol, XLogP of 8.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-7H-indolo[2,3-b]carbazole is sourced from PubChem (CID 167267797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).