7-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]-9-phenylbenzo[c]carbazole

C50H33N3 — CID 90269684

IUPAC7-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]-9-phenylbenzo[c]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccccc4)nc(-n4c5cc(-c6ccccc6)ccc5c5c6ccccc6ccc54)n3)c2)cc1
InChIInChI=1S/C50H33N3/c1-5-15-34(16-6-1)39-25-27-44-48(32-39)53(47-28-26-37-21-13-14-24-43(37)49(44)47)50-51-45(38-22-11-4-12-23-38)33-46(52-50)42-30-40(35-17-7-2-8-18-35)29-41(31-42)36-19-9-3-10-20-36/h1-33H
InChIKeySNJQQPRPTPWFNJ-UHFFFAOYSA-N
MW675.84 g/mol
LogP13.06
Rot. Bonds6

About 7-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]-9-phenylbenzo[c]carbazole

7-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]-9-phenylbenzo[c]carbazole (PubChem CID 90269684) has the molecular formula C50H33N3 and a molecular weight of 675.84 g/mol. Its IUPAC name is 7-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]-9-phenylbenzo[c]carbazole.

Molecular Properties

Compound Name7-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]-9-phenylbenzo[c]carbazole
PubChem CID90269684
Molecular FormulaC50H33N3
Molecular Weight675.84 g/mol
Exact Mass675.27
IUPAC Name7-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]-9-phenylbenzo[c]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccccc4)nc(-n4c5cc(-c6ccccc6)ccc5c5c6ccccc6ccc54)n3)c2)cc1
InChIInChI=1S/C50H33N3/c1-5-15-34(16-6-1)39-25-27-44-48(32-39)53(47-28-26-37-21-13-14-24-43(37)49(44)47)50-51-45(38-22-11-4-12-23-38)33-46(52-50)42-30-40(35-17-7-2-8-18-35)29-41(31-42)36-19-9-3-10-20-36/h1-33H
InChIKeySNJQQPRPTPWFNJ-UHFFFAOYSA-N
XLogP13.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.84
LogP ≤ 513.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 90215710
9,14-bis(4,6-diphenylpyrimidin-2-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 70851555
18-(4,6-diphenylpyrimidin-2-yl)-14-oxa-18-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene
CID 122595484
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-naphthalen-1-ylcarbazole
CID 157156172
7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-10-phenylbenzo[c]carbazole
CID 118133197
8-dibenzofuran-3-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole
CID 142570283
9-(4,6-diphenylpyrimidin-2-yl)-3,6-bis(3-phenylphenyl)carbazole
CID 123639414
9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 118361300
22-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 154597974
2-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]phenyl]-7,9-diphenylcarbazole
CID 90182884
9-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]carbazole
CID 59194567
12-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 118535672

Frequently Asked Questions

What is the IUPAC name of 7-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]-9-phenylbenzo[c]carbazole?
The IUPAC name of 7-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]-9-phenylbenzo[c]carbazole (CID 90269684) is 7-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]-9-phenylbenzo[c]carbazole.
What is the SMILES notation for 7-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]-9-phenylbenzo[c]carbazole?
The canonical SMILES for 7-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]-9-phenylbenzo[c]carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccccc4)nc(-n4c5cc(-c6ccccc6)ccc5c5c6ccccc6ccc54)n3)c2)cc1.
What is the InChIKey of 7-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]-9-phenylbenzo[c]carbazole?
The InChIKey is SNJQQPRPTPWFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N3/c1-5-15-34(16-6-1)39-25-27-44-48(32-39)53(47-28-26-37-21-13-14-24-43(37)49(44)47)50-51-45(38-22-11-4-12-23-38)33-46(52-50)42-30-40(35-17-7-2-8-18-35)29-41(31-42)36-19-9-3-10-20-36/h1-33H.
What are the key properties of 7-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]-9-phenylbenzo[c]carbazole?
7-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]-9-phenylbenzo[c]carbazole has a molecular weight of 675.84 g/mol, XLogP of 13.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]-9-phenylbenzo[c]carbazole is sourced from PubChem (CID 90269684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).