12-[4-(7,8-dihydronaphthalen-1-yl)-6-naphthalen-1-ylpyrimidin-2-yl]-5H-indolo[3,2-c]carbazole

C42H28N4 — CID 129209582

IUPAC12-[4-(7,8-dihydronaphthalen-1-yl)-6-naphthalen-1-ylpyrimidin-2-yl]-5H-indolo[3,2-c]carbazole
SMILESC1=Cc2cccc(-c3cc(-c4cccc5ccccc45)nc(-n4c5ccccc5c5ccc6[nH]c7ccccc7c6c54)n3)c2CC1
InChIInChI=1S/C42H28N4/c1-3-15-28-26(11-1)13-9-19-30(28)37-25-38(31-20-10-14-27-12-2-4-16-29(27)31)45-42(44-37)46-39-22-8-6-17-32(39)33-23-24-36-40(41(33)46)34-18-5-7-21-35(34)43-36/h1-3,5-15,17-25,43H,4,16H2
InChIKeyGGHPYSYBIJHZAM-UHFFFAOYSA-N
MW588.71 g/mol
LogP10.65
Rot. Bonds3

About 12-[4-(7,8-dihydronaphthalen-1-yl)-6-naphthalen-1-ylpyrimidin-2-yl]-5H-indolo[3,2-c]carbazole

12-[4-(7,8-dihydronaphthalen-1-yl)-6-naphthalen-1-ylpyrimidin-2-yl]-5H-indolo[3,2-c]carbazole (PubChem CID 129209582) has the molecular formula C42H28N4 and a molecular weight of 588.71 g/mol. Its IUPAC name is 12-[4-(7,8-dihydronaphthalen-1-yl)-6-naphthalen-1-ylpyrimidin-2-yl]-5H-indolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-[4-(7,8-dihydronaphthalen-1-yl)-6-naphthalen-1-ylpyrimidin-2-yl]-5H-indolo[3,2-c]carbazole
PubChem CID129209582
Molecular FormulaC42H28N4
Molecular Weight588.71 g/mol
Exact Mass588.23
IUPAC Name12-[4-(7,8-dihydronaphthalen-1-yl)-6-naphthalen-1-ylpyrimidin-2-yl]-5H-indolo[3,2-c]carbazole
SMILESC1=Cc2cccc(-c3cc(-c4cccc5ccccc45)nc(-n4c5ccccc5c5ccc6[nH]c7ccccc7c6c54)n3)c2CC1
InChIInChI=1S/C42H28N4/c1-3-15-28-26(11-1)13-9-19-30(28)37-25-38(31-20-10-14-27-12-2-4-16-29(27)31)45-42(44-37)46-39-22-8-6-17-32(39)33-23-24-36-40(41(33)46)34-18-5-7-21-35(34)43-36/h1-3,5-15,17-25,43H,4,16H2
InChIKeyGGHPYSYBIJHZAM-UHFFFAOYSA-N
XLogP10.65
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.71
LogP ≤ 510.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-[3-[6-[3-[3-[4-(5H-indolo[3,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 156556355
12-quinolin-2-yl-5H-indolo[3,2-c]carbazole
CID 146360089
9-(4,6-diphenylpyrimidin-2-yl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 118672662
3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159623630
11-(9-phenylcarbazol-2-yl)-7H-benzo[c]carbazole
CID 155114077
1-(9H-carbazol-3-yl)-9-phenylcarbazole
CID 59307184
4-(5,6-dihydronaphthalen-2-yl)-6-naphthalen-1-ylpyrimidine
CID 144884357
9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-27-phenyl-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene
CID 130398103
4-[2-chrysen-3-yl-6-(2-phenylphenyl)pyrimidin-4-yl]-9H-carbazole
CID 170248307
12-[2-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-5-phenylindolo[3,2-c]carbazole
CID 155240541
9-(4,6-dinaphthalen-1-yl-2-pyridinyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 159334755
3-[3-[4-(1-adamantyl)-6-phenyl-1,3,5-triazin-2-yl]-4-(5H-indolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
CID 176623179

Frequently Asked Questions

What is the IUPAC name of 12-[4-(7,8-dihydronaphthalen-1-yl)-6-naphthalen-1-ylpyrimidin-2-yl]-5H-indolo[3,2-c]carbazole?
The IUPAC name of 12-[4-(7,8-dihydronaphthalen-1-yl)-6-naphthalen-1-ylpyrimidin-2-yl]-5H-indolo[3,2-c]carbazole (CID 129209582) is 12-[4-(7,8-dihydronaphthalen-1-yl)-6-naphthalen-1-ylpyrimidin-2-yl]-5H-indolo[3,2-c]carbazole.
What is the SMILES notation for 12-[4-(7,8-dihydronaphthalen-1-yl)-6-naphthalen-1-ylpyrimidin-2-yl]-5H-indolo[3,2-c]carbazole?
The canonical SMILES for 12-[4-(7,8-dihydronaphthalen-1-yl)-6-naphthalen-1-ylpyrimidin-2-yl]-5H-indolo[3,2-c]carbazole is C1=Cc2cccc(-c3cc(-c4cccc5ccccc45)nc(-n4c5ccccc5c5ccc6[nH]c7ccccc7c6c54)n3)c2CC1.
What is the InChIKey of 12-[4-(7,8-dihydronaphthalen-1-yl)-6-naphthalen-1-ylpyrimidin-2-yl]-5H-indolo[3,2-c]carbazole?
The InChIKey is GGHPYSYBIJHZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4/c1-3-15-28-26(11-1)13-9-19-30(28)37-25-38(31-20-10-14-27-12-2-4-16-29(27)31)45-42(44-37)46-39-22-8-6-17-32(39)33-23-24-36-40(41(33)46)34-18-5-7-21-35(34)43-36/h1-3,5-15,17-25,43H,4,16H2.
What are the key properties of 12-[4-(7,8-dihydronaphthalen-1-yl)-6-naphthalen-1-ylpyrimidin-2-yl]-5H-indolo[3,2-c]carbazole?
12-[4-(7,8-dihydronaphthalen-1-yl)-6-naphthalen-1-ylpyrimidin-2-yl]-5H-indolo[3,2-c]carbazole has a molecular weight of 588.71 g/mol, XLogP of 10.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(7,8-dihydronaphthalen-1-yl)-6-naphthalen-1-ylpyrimidin-2-yl]-5H-indolo[3,2-c]carbazole is sourced from PubChem (CID 129209582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).