2-[18-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-9-[4-[4-[3-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazole

C110H73N5O4 — CID 138573369

IUPAC2-[18-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-9-[4-[4-[3-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)Oc1ccc(-c2cccc(-c4cc(-c5ccccc5)nc(-c5ccc(-n6c7ccccc7c7ccc(-c8ccc9c(c8)-c8cc%10c(cc8C9(C)C)Oc8ccc(-c9cccc(-c%11cc(-c%12cccc(-c%13ccccc%13)c%12)nc(-c%12cccc(-c%13ccccc%13)c%12)n%11)c9)cc8O%10)cc76)cc5)n4)c2)cc1O3
InChIInChI=1S/C110H73N5O4/c1-109(2)89-38-16-14-36-83(89)87-60-103-105(62-91(87)109)116-99-50-44-76(58-101(99)118-103)72-30-19-33-79(53-72)94-64-93(68-26-12-7-13-27-68)111-107(112-94)69-40-46-82(47-41-69)115-97-39-17-15-37-84(97)85-48-42-75(57-98(85)115)74-43-49-90-86(56-74)88-61-104-106(63-92(88)110(90,3)4)117-100-51-45-77(59-102(100)119-104)73-31-20-34-80(54-73)96-65-95(78-32-18-28-70(52-78)66-22-8-5-9-23-66)113-108(114-96)81-35-21-29-71(55-81)67-24-10-6-11-25-67/h5-65H,1-4H3
InChIKeyMXGNVEZDGAAMQS-UHFFFAOYSA-N
MW1528.82 g/mol
LogP29.11
Rot. Bonds12

About 2-[18-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-9-[4-[4-[3-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazole

2-[18-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-9-[4-[4-[3-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazole (PubChem CID 138573369) has the molecular formula C110H73N5O4 and a molecular weight of 1528.82 g/mol. Its IUPAC name is 2-[18-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-9-[4-[4-[3-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name2-[18-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-9-[4-[4-[3-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazole
PubChem CID138573369
Molecular FormulaC110H73N5O4
Molecular Weight1528.82 g/mol
Exact Mass1527.57
IUPAC Name2-[18-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-9-[4-[4-[3-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)Oc1ccc(-c2cccc(-c4cc(-c5ccccc5)nc(-c5ccc(-n6c7ccccc7c7ccc(-c8ccc9c(c8)-c8cc%10c(cc8C9(C)C)Oc8ccc(-c9cccc(-c%11cc(-c%12cccc(-c%13ccccc%13)c%12)nc(-c%12cccc(-c%13ccccc%13)c%12)n%11)c9)cc8O%10)cc76)cc5)n4)c2)cc1O3
InChIInChI=1S/C110H73N5O4/c1-109(2)89-38-16-14-36-83(89)87-60-103-105(62-91(87)109)116-99-50-44-76(58-101(99)118-103)72-30-19-33-79(53-72)94-64-93(68-26-12-7-13-27-68)111-107(112-94)69-40-46-82(47-41-69)115-97-39-17-15-37-84(97)85-48-42-75(57-98(85)115)74-43-49-90-86(56-74)88-61-104-106(63-92(88)110(90,3)4)117-100-51-45-77(59-102(100)119-104)73-31-20-34-80(54-73)96-65-95(78-32-18-28-70(52-78)66-22-8-5-9-23-66)113-108(114-96)81-35-21-29-71(55-81)67-24-10-6-11-25-67/h5-65H,1-4H3
InChIKeyMXGNVEZDGAAMQS-UHFFFAOYSA-N
XLogP29.11
TPSA93.41 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms119
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001528.82
LogP ≤ 529.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[18-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-9-[4-[4-[3-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazole with MolForge

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Related Compounds

9-[4-[4-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138573376
5-[4-(3,5-diphenylphenyl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 158211170
9-[4-[4-[7-[3-[7-[2,6-bis(4-carbazol-9-ylphenyl)pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-6-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]phenyl]carbazole;9-[4-[4-[4-[4-[3-[4-[4-[2,6-bis(4-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-6-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]phenyl]carbazole
CID 159401121
3-[9-[4-[6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 158207100
5-[3-[2,6-bis[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-[4-[2,6-bis[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 159514496
9-[4-[6-(4-carbazol-9-ylphenyl)-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 67678690
5-[3-[2,6-bis[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126630697
9-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]carbazole
CID 67678509
9-[3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 144649974
3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 67678496
9-[4-[4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138575101
15-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-19,19-dimethyl-11-phenyl-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
CID 121459494

Frequently Asked Questions

What is the IUPAC name of 2-[18-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-9-[4-[4-[3-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazole?
The IUPAC name of 2-[18-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-9-[4-[4-[3-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazole (CID 138573369) is 2-[18-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-9-[4-[4-[3-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazole.
What is the SMILES notation for 2-[18-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-9-[4-[4-[3-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazole?
The canonical SMILES for 2-[18-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-9-[4-[4-[3-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)Oc1ccc(-c2cccc(-c4cc(-c5ccccc5)nc(-c5ccc(-n6c7ccccc7c7ccc(-c8ccc9c(c8)-c8cc%10c(cc8C9(C)C)Oc8ccc(-c9cccc(-c%11cc(-c%12cccc(-c%13ccccc%13)c%12)nc(-c%12cccc(-c%13ccccc%13)c%12)n%11)c9)cc8O%10)cc76)cc5)n4)c2)cc1O3.
What is the InChIKey of 2-[18-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-9-[4-[4-[3-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazole?
The InChIKey is MXGNVEZDGAAMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H73N5O4/c1-109(2)89-38-16-14-36-83(89)87-60-103-105(62-91(87)109)116-99-50-44-76(58-101(99)118-103)72-30-19-33-79(53-72)94-64-93(68-26-12-7-13-27-68)111-107(112-94)69-40-46-82(47-41-69)115-97-39-17-15-37-84(97)85-48-42-75(57-98(85)115)74-43-49-90-86(56-74)88-61-104-106(63-92(88)110(90,3)4)117-100-51-45-77(59-102(100)119-104)73-31-20-34-80(54-73)96-65-95(78-32-18-28-70(52-78)66-22-8-5-9-23-66)113-108(114-96)81-35-21-29-71(55-81)67-24-10-6-11-25-67/h5-65H,1-4H3.
What are the key properties of 2-[18-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-9-[4-[4-[3-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazole?
2-[18-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-9-[4-[4-[3-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazole has a molecular weight of 1528.82 g/mol, XLogP of 29.11, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[18-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-9-[4-[4-[3-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazole is sourced from PubChem (CID 138573369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).