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

C90H54N12 — CID 153482869

IUPAC11-[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
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2cnc(-c3cc(-c4ncc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccccc5)cn4)cc(-c4ncc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccccc5)cn4)c3)nc2)cc1
InChIInChI=1S/C90H54N12/c1-4-22-58(23-5-1)97-76-34-16-10-28-64(76)70-46-85-73(43-82(70)97)67-31-13-19-37-79(67)100(85)61-49-91-88(92-50-61)55-40-56(89-93-51-62(52-94-89)101-80-38-20-14-32-68(80)74-44-83-71(47-86(74)101)65-29-11-17-35-77(65)98(83)59-24-6-2-7-25-59)42-57(41-55)90-95-53-63(54-96-90)102-81-39-21-15-33-69(81)75-45-84-72(48-87(75)102)66-30-12-18-36-78(66)99(84)60-26-8-3-9-27-60/h1-54H
InChIKeyPFUYOPAKXOIALD-UHFFFAOYSA-N
MW1303.51 g/mol
LogP21.64
Rot. Bonds9

About 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

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 (PubChem CID 153482869) has the molecular formula C90H54N12 and a molecular weight of 1303.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11-[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
PubChem CID153482869
Molecular FormulaC90H54N12
Molecular Weight1303.51 g/mol
Exact Mass1302.46
IUPAC Name11-[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
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2cnc(-c3cc(-c4ncc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccccc5)cn4)cc(-c4ncc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccccc5)cn4)c3)nc2)cc1
InChIInChI=1S/C90H54N12/c1-4-22-58(23-5-1)97-76-34-16-10-28-64(76)70-46-85-73(43-82(70)97)67-31-13-19-37-79(67)100(85)61-49-91-88(92-50-61)55-40-56(89-93-51-62(52-94-89)101-80-38-20-14-32-68(80)74-44-83-71(47-86(74)101)65-29-11-17-35-77(65)98(83)59-24-6-2-7-25-59)42-57(41-55)90-95-53-63(54-96-90)102-81-39-21-15-33-69(81)75-45-84-72(48-87(75)102)66-30-12-18-36-78(66)99(84)60-26-8-3-9-27-60/h1-54H
InChIKeyPFUYOPAKXOIALD-UHFFFAOYSA-N
XLogP21.64
TPSA106.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001303.51
LogP ≤ 521.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

7-(3-phenylphenyl)-5-(2-phenylpyrimidin-5-yl)indolo[2,3-b]carbazole
CID 118529339
22-[4-[4,6-bis[4-(5,15,29,39-tetraphenyl-5,15,22,29,39-pentazaundecacyclo[21.18.0.02,21.04,19.06,18.08,16.09,14.025,40.026,38.028,36.030,35]hentetraconta-1(41),2,4(19),6(18),7,9,11,13,16,20,23,25(40),26(38),27,30,32,34,36-octadecaen-22-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-5,15,29,39-tetraphenyl-5,15,22,29,39-pentazaundecacyclo[21.18.0.02,21.04,19.06,18.08,16.09,14.025,40.026,38.028,36.030,35]hentetraconta-1(41),2,4(19),6(18),7,9,11,13,16,20,23,25(40),26(38),27,30,32,34,36-octadecaene
CID 88949847
5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573
N-[2-(5-carbazol-9-ylpyrimidin-2-yl)pyrimidin-5-yl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 163795809
7-phenyl-14-(2-phenylpyrimidin-5-yl)-7,14-diazapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaene
CID 90223580
ethane;5-phenyl-11-pyrimidin-2-ylindolo[3,2-b]carbazole
CID 123300627
2-[9-[2-(2,6-diphenylpyrimidin-4-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole
CID 160742717
7-phenyl-5-[3-phenyl-5-[4-phenyl-6-[3-phenyl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole
CID 118041197
3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole
CID 134194444
11-(2-pyridin-4-ylpyrimidin-5-yl)-1,11,15-triazadecacyclo[25.10.1.115,22.02,14.04,12.05,10.016,21.031,38.032,37.026,39]nonatriaconta-2(14),3,5,7,9,12,16,18,20,22(39),23,25,27,29,31(38),32,34,36-octadecaene
CID 118186741
11-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole
CID 118487928
5,11-bis(3-phenylphenyl)indolo[3,2-b]carbazole;11-(3,5-diphenylphenyl)-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 160597289

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2cnc(-c3cc(-c4ncc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccccc5)cn4)cc(-c4ncc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccccc5)cn4)c3)nc2)cc1.
What is the InChIKey of 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?
The InChIKey is PFUYOPAKXOIALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H54N12/c1-4-22-58(23-5-1)97-76-34-16-10-28-64(76)70-46-85-73(43-82(70)97)67-31-13-19-37-79(67)100(85)61-49-91-88(92-50-61)55-40-56(89-93-51-62(52-94-89)101-80-38-20-14-32-68(80)74-44-83-71(47-86(74)101)65-29-11-17-35-77(65)98(83)59-24-6-2-7-25-59)42-57(41-55)90-95-53-63(54-96-90)102-81-39-21-15-33-69(81)75-45-84-72(48-87(75)102)66-30-12-18-36-78(66)99(84)60-26-8-3-9-27-60/h1-54H.
What are the key properties of 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?
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 has a molecular weight of 1303.51 g/mol, XLogP of 21.64, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 153482869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).