ethane;5-phenyl-11-pyrimidin-2-ylindolo[3,2-b]carbazole

C38H48N4 — CID 123300627

IUPACethane;5-phenyl-11-pyrimidin-2-ylindolo[3,2-b]carbazole
SMILESCC.CC.CC.CC.CC.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ncccn2)cc1
InChIInChI=1S/C28H18N4.5C2H6/c1-2-9-19(10-3-1)31-24-13-6-4-11-20(24)22-18-27-23(17-26(22)31)21-12-5-7-14-25(21)32(27)28-29-15-8-16-30-28;5*1-2/h1-18H;5*1-2H3
InChIKeyAAYAVEDIBGJKQQ-UHFFFAOYSA-N
MW560.83 g/mol
LogP11.80
Rot. Bonds2

About ethane;5-phenyl-11-pyrimidin-2-ylindolo[3,2-b]carbazole

ethane;5-phenyl-11-pyrimidin-2-ylindolo[3,2-b]carbazole (PubChem CID 123300627) has the molecular formula C38H48N4 and a molecular weight of 560.83 g/mol. Its IUPAC name is ethane;5-phenyl-11-pyrimidin-2-ylindolo[3,2-b]carbazole.

Molecular Properties

Compound Nameethane;5-phenyl-11-pyrimidin-2-ylindolo[3,2-b]carbazole
PubChem CID123300627
Molecular FormulaC38H48N4
Molecular Weight560.83 g/mol
Exact Mass560.39
IUPAC Nameethane;5-phenyl-11-pyrimidin-2-ylindolo[3,2-b]carbazole
SMILESCC.CC.CC.CC.CC.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ncccn2)cc1
InChIInChI=1S/C28H18N4.5C2H6/c1-2-9-19(10-3-1)31-24-13-6-4-11-20(24)22-18-27-23(17-26(22)31)21-12-5-7-14-25(21)32(27)28-29-15-8-16-30-28;5*1-2/h1-18H;5*1-2H3
InChIKeyAAYAVEDIBGJKQQ-UHFFFAOYSA-N
XLogP11.80
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.83
LogP ≤ 511.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole
CID 118487712
9-phenyl-14-pyrimidin-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 58038360
23-phenyl-6,9,23-triazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,24-dodecaene
CID 140956768
23-phenyl-6,23-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 140956310
5-(4-phenylphenyl)-11-(5-phenylpyrimidin-2-yl)indolo[3,2-b]carbazole
CID 155139599
12-phenyl-22-pyridin-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 122464990
5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573
20-phenyl-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 166015522
5-phenyl-11-pyrido[2,3-d]pyrimidin-4-ylindolo[3,2-b]carbazole
CID 145010179
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
11-[2-[3,5-bis[5-(5-phenylindolo[3,2-b]carbazol-11-yl)pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-5-phenylindolo[3,2-b]carbazole
CID 153482869
11-[4-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole
CID 169014141

Frequently Asked Questions

What is the IUPAC name of ethane;5-phenyl-11-pyrimidin-2-ylindolo[3,2-b]carbazole?
The IUPAC name of ethane;5-phenyl-11-pyrimidin-2-ylindolo[3,2-b]carbazole (CID 123300627) is ethane;5-phenyl-11-pyrimidin-2-ylindolo[3,2-b]carbazole.
What is the SMILES notation for ethane;5-phenyl-11-pyrimidin-2-ylindolo[3,2-b]carbazole?
The canonical SMILES for ethane;5-phenyl-11-pyrimidin-2-ylindolo[3,2-b]carbazole is CC.CC.CC.CC.CC.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ncccn2)cc1.
What is the InChIKey of ethane;5-phenyl-11-pyrimidin-2-ylindolo[3,2-b]carbazole?
The InChIKey is AAYAVEDIBGJKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4.5C2H6/c1-2-9-19(10-3-1)31-24-13-6-4-11-20(24)22-18-27-23(17-26(22)31)21-12-5-7-14-25(21)32(27)28-29-15-8-16-30-28;5*1-2/h1-18H;5*1-2H3.
What are the key properties of ethane;5-phenyl-11-pyrimidin-2-ylindolo[3,2-b]carbazole?
ethane;5-phenyl-11-pyrimidin-2-ylindolo[3,2-b]carbazole has a molecular weight of 560.83 g/mol, XLogP of 11.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-phenyl-11-pyrimidin-2-ylindolo[3,2-b]carbazole is sourced from PubChem (CID 123300627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).